7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one

C19H25N3OS — CID 97390101

IUPAC7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESCc1nc(Cn2c3c(ccc2=O)CCN(CC2CCC2)CC3)cs1
InChIInChI=1S/C19H25N3OS/c1-14-20-17(13-24-14)12-22-18-8-10-21(11-15-3-2-4-15)9-7-16(18)5-6-19(22)23/h5-6,13,15H,2-4,7-12H2,1H3
InChIKeyPCPXJYJANHFGLH-UHFFFAOYSA-N
MW343.50 g/mol
LogP2.86
Rot. Bonds4

About 7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one

7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (PubChem CID 97390101) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
PubChem CID97390101
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESCc1nc(Cn2c3c(ccc2=O)CCN(CC2CCC2)CC3)cs1
InChIInChI=1S/C19H25N3OS/c1-14-20-17(13-24-14)12-22-18-8-10-21(11-15-3-2-4-15)9-7-16(18)5-6-19(22)23/h5-6,13,15H,2-4,7-12H2,1H3
InChIKeyPCPXJYJANHFGLH-UHFFFAOYSA-N
XLogP2.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 118745725
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131648939
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928620
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124973195
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79545015
4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
CID 118745721

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The IUPAC name of 7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (CID 97390101) is 7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The canonical SMILES for 7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is Cc1nc(Cn2c3c(ccc2=O)CCN(CC2CCC2)CC3)cs1.
What is the InChIKey of 7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The InChIKey is PCPXJYJANHFGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14-20-17(13-24-14)12-22-18-8-10-21(11-15-3-2-4-15)9-7-16(18)5-6-19(22)23/h5-6,13,15H,2-4,7-12H2,1H3.
What are the key properties of 7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one has a molecular weight of 343.50 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is sourced from PubChem (CID 97390101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).