N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide

C17H22N4O2S2 — CID 46650853

IUPACN-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C17H22N4O2S2/c1-10(2)14(19-15(22)12-5-4-8-24-12)16(23)20-17-18-11-6-7-21(3)9-13(11)25-17/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,19,22)(H,18,20,23)
InChIKeyIQFZIZNRICFCGQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.59
Rot. Bonds5

About N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 46650853) has the molecular formula C17H22N4O2S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID46650853
Molecular FormulaC17H22N4O2S2
Molecular Weight378.52 g/mol
Exact Mass378.12
IUPAC NameN-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C17H22N4O2S2/c1-10(2)14(19-15(22)12-5-4-8-24-12)16(23)20-17-18-11-6-7-21(3)9-13(11)25-17/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,19,22)(H,18,20,23)
InChIKeyIQFZIZNRICFCGQ-UHFFFAOYSA-N
XLogP2.59
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 29173142
N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 112793389
benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 18278826
2-amino-3-hydroxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110480609
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-morpholin-4-ylpropanamide
CID 110446344
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 112794431
N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526965
N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide
CID 43020450
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenoxy)propanamide
CID 55628609
N-(4-iodophenyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108529188
N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 45351737
N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 7399918

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 46650853) is N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)Nc1nc2c(s1)CN(C)CC2.
What is the InChIKey of N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is IQFZIZNRICFCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S2/c1-10(2)14(19-15(22)12-5-4-8-24-12)16(23)20-17-18-11-6-7-21(3)9-13(11)25-17/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,19,22)(H,18,20,23).
What are the key properties of N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46650853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).