6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide

C20H26N4OS — CID 155872133

IUPAC6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
SMILESO=C(Nc1ccncc1)c1nc2c(s1)CCN(CC1CCCCC1)CC2
InChIInChI=1S/C20H26N4OS/c25-19(22-16-6-10-21-11-7-16)20-23-17-8-12-24(13-9-18(17)26-20)14-15-4-2-1-3-5-15/h6-7,10-11,15H,1-5,8-9,12-14H2,(H,21,22,25)
InChIKeyFEKGLFHXIUOGOO-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.77
Rot. Bonds4

About 6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide

6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide (PubChem CID 155872133) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
PubChem CID155872133
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
SMILESO=C(Nc1ccncc1)c1nc2c(s1)CCN(CC1CCCCC1)CC2
InChIInChI=1S/C20H26N4OS/c25-19(22-16-6-10-21-11-7-16)20-23-17-8-12-24(13-9-18(17)26-20)14-15-4-2-1-3-5-15/h6-7,10-11,15H,1-5,8-9,12-14H2,(H,21,22,25)
InChIKeyFEKGLFHXIUOGOO-UHFFFAOYSA-N
XLogP3.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclohexylmethyl)-N-(3-methoxyphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155872736
6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155858216
6-[2-[methyl(propan-2-yl)amino]acetyl]-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 131691807
4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
6-benzoyl-N-pyridin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155862386
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone
CID 97389075
N-(3-methoxyphenyl)-6-(3-methylsulfonylpropanoyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155874263
N'-(4-chlorophenyl)-N-[(1R,2R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cycloheptyl]oxamide
CID 67056458
N-(4-chlorophenyl)-6-(6-methylpyridine-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155872420
3-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 47060175
N-(2-methylpropyl)-6-(pyridine-4-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155849745

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The IUPAC name of 6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide (CID 155872133) is 6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide.
What is the SMILES notation for 6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The canonical SMILES for 6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide is O=C(Nc1ccncc1)c1nc2c(s1)CCN(CC1CCCCC1)CC2.
What is the InChIKey of 6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The InChIKey is FEKGLFHXIUOGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-19(22-16-6-10-21-11-7-16)20-23-17-8-12-24(13-9-18(17)26-20)14-15-4-2-1-3-5-15/h6-7,10-11,15H,1-5,8-9,12-14H2,(H,21,22,25).
What are the key properties of 6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide is sourced from PubChem (CID 155872133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).