N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

C19H24N4O2S — CID 124796669

IUPACN-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1cccc(CN2C[C@H]3[C@H](CNC(=O)c4csc(C)n4)CO[C@H]3C2)n1
InChIInChI=1S/C19H24N4O2S/c1-12-4-3-5-15(21-12)7-23-8-16-14(10-25-18(16)9-23)6-20-19(24)17-11-26-13(2)22-17/h3-5,11,14,16,18H,6-10H2,1-2H3,(H,20,24)/t14-,16+,18+/m1/s1
InChIKeyVOBHBADLSYCZAN-HFTRVMKXSA-N
MW372.49 g/mol
LogP2.03
Rot. Bonds5

About N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 124796669) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID124796669
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1cccc(CN2C[C@H]3[C@H](CNC(=O)c4csc(C)n4)CO[C@H]3C2)n1
InChIInChI=1S/C19H24N4O2S/c1-12-4-3-5-15(21-12)7-23-8-16-14(10-25-18(16)9-23)6-20-19(24)17-11-26-13(2)22-17/h3-5,11,14,16,18H,6-10H2,1-2H3,(H,20,24)/t14-,16+,18+/m1/s1
InChIKeyVOBHBADLSYCZAN-HFTRVMKXSA-N
XLogP2.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 124801225
N-[[(3R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155830821
N-[[(3R,3aS,6aS)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
CID 124780287
(3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
CID 124803531
N-[[(3R,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 124806474
1,1-dimethyl-3-[(1S,5R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]urea
CID 98778828
N-[[(3S,3aR,6aR)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide
CID 124796875
N-[[(3R,3aS,6aS)-5-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124782527
(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(6-methyl-2-pyridinyl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367019
2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 45181727
[(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone
CID 97364621
N-[[(3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 125245186

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 124796669) is N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1cccc(CN2C[C@H]3[C@H](CNC(=O)c4csc(C)n4)CO[C@H]3C2)n1.
What is the InChIKey of N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is VOBHBADLSYCZAN-HFTRVMKXSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-12-4-3-5-15(21-12)7-23-8-16-14(10-25-18(16)9-23)6-20-19(24)17-11-26-13(2)22-17/h3-5,11,14,16,18H,6-10H2,1-2H3,(H,20,24)/t14-,16+,18+/m1/s1.
What are the key properties of N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 124796669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).