[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

C23H30N4OS — CID 68824394

IUPAC[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
SMILESCc1cc(C(=O)N2CCC(c3nc4c(s3)CCN(C3CCC3)CC4)CC2)ccn1
InChIInChI=1S/C23H30N4OS/c1-16-15-18(5-10-24-16)23(28)27-11-6-17(7-12-27)22-25-20-8-13-26(19-3-2-4-19)14-9-21(20)29-22/h5,10,15,17,19H,2-4,6-9,11-14H2,1H3
InChIKeyRKKSFIDZQDMJLF-UHFFFAOYSA-N
MW410.59 g/mol
LogP3.82
Rot. Bonds3

About [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

[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 (PubChem CID 68824394) has the molecular formula C23H30N4OS and a molecular weight of 410.59 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID68824394
Molecular FormulaC23H30N4OS
Molecular Weight410.59 g/mol
Exact Mass410.21
IUPAC Name[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
SMILESCc1cc(C(=O)N2CCC(c3nc4c(s3)CCN(C3CCC3)CC4)CC2)ccn1
InChIInChI=1S/C23H30N4OS/c1-16-15-18(5-10-24-16)23(28)27-11-6-17(7-12-27)22-25-20-8-13-26(19-3-2-4-19)14-9-21(20)29-22/h5,10,15,17,19H,2-4,6-9,11-14H2,1H3
InChIKeyRKKSFIDZQDMJLF-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [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 with MolForge

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Related Compounds

[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
(3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289983
pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289978
[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
(3-chlorophenyl)-[4-[6-(cyclobutadienyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]piperidin-1-yl]methanone
CID 68824804
methyl 4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)benzoate
CID 59755909
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 107406591
[4-[6-(cyclobutadienyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 68824281
2,2-dimethyl-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110289961
1-(2-methylpyridine-4-carbonyl)piperidin-3-one
CID 106753061
1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71683914

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cc(C(=O)N2CCC(c3nc4c(s3)CCN(C3CCC3)CC4)CC2)ccn1.
What is the InChIKey of [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?
The InChIKey is RKKSFIDZQDMJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4OS/c1-16-15-18(5-10-24-16)23(28)27-11-6-17(7-12-27)22-25-20-8-13-26(19-3-2-4-19)14-9-21(20)29-22/h5,10,15,17,19H,2-4,6-9,11-14H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 410.59 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 68824394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).