N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide

C16H23N3O2S — CID 97459865

IUPACN-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H]2CN(CC3CC3)CC[C@@H]21)c1cscn1
InChIInChI=1S/C16H23N3O2S/c20-16(14-9-22-10-18-14)17-5-15-13-3-4-19(6-11-1-2-11)7-12(13)8-21-15/h9-13,15H,1-8H2,(H,17,20)/t12-,13-,15+/m0/s1
InChIKeyKJLMHUUUEJKBNM-KCQAQPDRSA-N
MW321.45 g/mol
LogP1.62
Rot. Bonds5

About N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 97459865) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID97459865
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H]2CN(CC3CC3)CC[C@@H]21)c1cscn1
InChIInChI=1S/C16H23N3O2S/c20-16(14-9-22-10-18-14)17-5-15-13-3-4-19(6-11-1-2-11)7-12(13)8-21-15/h9-13,15H,1-8H2,(H,17,20)/t12-,13-,15+/m0/s1
InChIKeyKJLMHUUUEJKBNM-KCQAQPDRSA-N
XLogP1.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[[(3S,3aR,7aR)-5-acetyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 155874525
N-[[(1R,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]cyclopropanecarboxamide
CID 97380295
N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
CID 124780598
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 63048022
N-[[(1S,3aR,7aR)-5-(1,3-thiazol-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]cyclopropanecarboxamide
CID 131697543
N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide
CID 155501440
N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049614
2-[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 97475503
2-[(1S,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 97475451
N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 131950069
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 106127398
4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526408

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide (CID 97459865) is N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NC[C@H]1OC[C@@H]2CN(CC3CC3)CC[C@@H]21)c1cscn1.
What is the InChIKey of N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KJLMHUUUEJKBNM-KCQAQPDRSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-16(14-9-22-10-18-14)17-5-15-13-3-4-19(6-11-1-2-11)7-12(13)8-21-15/h9-13,15H,1-8H2,(H,17,20)/t12-,13-,15+/m0/s1.
What are the key properties of N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97459865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).