(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone

C20H26N4OS — CID 126776097

IUPAC(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
SMILESCc1nc(C2CCCC2)sc1C(=O)N1CCCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4OS/c1-15-18(26-19(22-15)16-7-2-3-8-16)20(25)24-12-6-11-23(13-14-24)17-9-4-5-10-21-17/h4-5,9-10,16H,2-3,6-8,11-14H2,1H3
InChIKeyOMVCHJHIBANQTF-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.86
Rot. Bonds3

About (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone

(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone (PubChem CID 126776097) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
PubChem CID126776097
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
SMILESCc1nc(C2CCCC2)sc1C(=O)N1CCCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4OS/c1-15-18(26-19(22-15)16-7-2-3-8-16)20(25)24-12-6-11-23(13-14-24)17-9-4-5-10-21-17/h4-5,9-10,16H,2-3,6-8,11-14H2,1H3
InChIKeyOMVCHJHIBANQTF-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone with MolForge

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Related Compounds

(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 126776733
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309
[2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53365364
[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110694360
[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3814800
6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175023
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058233
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 41323206
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 24512746
N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51642051

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone (CID 126776097) is (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone is Cc1nc(C2CCCC2)sc1C(=O)N1CCCN(c2ccccn2)CC1.
What is the InChIKey of (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone?
The InChIKey is OMVCHJHIBANQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-15-18(26-19(22-15)16-7-2-3-8-16)20(25)24-12-6-11-23(13-14-24)17-9-4-5-10-21-17/h4-5,9-10,16H,2-3,6-8,11-14H2,1H3.
What are the key properties of (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone?
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone has a molecular weight of 370.52 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 126776097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).