[5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone

C25H30N6OS — CID 59755866

IUPAC[5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone
SMILESO=C(c1ccc(N2CCC(c3nc4c(s3)CCN(C3CCC3)CC4)CC2)cn1)n1ccnc1
InChIInChI=1S/C25H30N6OS/c32-25(31-15-10-26-17-31)22-5-4-20(16-27-22)30-11-6-18(7-12-30)24-28-21-8-13-29(19-2-1-3-19)14-9-23(21)33-24/h4-5,10,15-19H,1-3,6-9,11-14H2
InChIKeyNPHYKULDZXXDSA-UHFFFAOYSA-N
MW462.62 g/mol
LogP3.76
Rot. Bonds4

About [5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone

[5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone (PubChem CID 59755866) has the molecular formula C25H30N6OS and a molecular weight of 462.62 g/mol. Its IUPAC name is [5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone
PubChem CID59755866
Molecular FormulaC25H30N6OS
Molecular Weight462.62 g/mol
Exact Mass462.22
IUPAC Name[5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone
SMILESO=C(c1ccc(N2CCC(c3nc4c(s3)CCN(C3CCC3)CC4)CC2)cn1)n1ccnc1
InChIInChI=1S/C25H30N6OS/c32-25(31-15-10-26-17-31)22-5-4-20(16-27-22)30-11-6-18(7-12-30)24-28-21-8-13-29(19-2-1-3-19)14-9-23(21)33-24/h4-5,10,15-19H,1-3,6-9,11-14H2
InChIKeyNPHYKULDZXXDSA-UHFFFAOYSA-N
XLogP3.76
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone with MolForge

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Related Compounds

[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 68824394
[3-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 59755905
[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-(1,4-dimethylpyrazol-3-yl)methanone
CID 68824977
5-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)pyrazine-2-carboxylic acid
CID 68825232
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-imidazol-1-ylpyridine-2-carboxamide
CID 44529425
pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289978
5-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)-N-methylpyrazine-2-carboxamide
CID 59755896
[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487659
methyl 4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)benzoate
CID 59755909
butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate
CID 142998015
2-(2-chloropyrimidin-5-yl)-6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 59755882
5-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)pyridine-2-carbonitrile
CID 68824860

Frequently Asked Questions

What is the IUPAC name of [5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone?
The IUPAC name of [5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone (CID 59755866) is [5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone.
What is the SMILES notation for [5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone?
The canonical SMILES for [5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone is O=C(c1ccc(N2CCC(c3nc4c(s3)CCN(C3CCC3)CC4)CC2)cn1)n1ccnc1.
What is the InChIKey of [5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone?
The InChIKey is NPHYKULDZXXDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6OS/c32-25(31-15-10-26-17-31)22-5-4-20(16-27-22)30-11-6-18(7-12-30)24-28-21-8-13-29(19-2-1-3-19)14-9-23(21)33-24/h4-5,10,15-19H,1-3,6-9,11-14H2.
What are the key properties of [5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone?
[5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone has a molecular weight of 462.62 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-2-pyridinyl]-imidazol-1-ylmethanone is sourced from PubChem (CID 59755866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).