1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile

C16H22N4OS — CID 56819300

IUPAC1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCc1csc(N2CCCN(C(=O)C3(C#N)CCCC3)CC2)n1
InChIInChI=1S/C16H22N4OS/c1-13-11-22-15(18-13)20-8-4-7-19(9-10-20)14(21)16(12-17)5-2-3-6-16/h11H,2-10H2,1H3
InChIKeyOVHYKQPMTABHLV-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.57
Rot. Bonds2

About 1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile

1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 56819300) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID56819300
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCc1csc(N2CCCN(C(=O)C3(C#N)CCCC3)CC2)n1
InChIInChI=1S/C16H22N4OS/c1-13-11-22-15(18-13)20-8-4-7-19(9-10-20)14(21)16(12-17)5-2-3-6-16/h11H,2-10H2,1H3
InChIKeyOVHYKQPMTABHLV-UHFFFAOYSA-N
XLogP2.57
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile 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

1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 35165637
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819709
1-[4-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819720
1-({2-[4-(Cyclopentylcarbonyl)piperazin-1-yl]-1,3-thiazol-4-yl}methyl)azepane
CID 53158609
1-{4-[4-(1-Azepanylmethyl)-1,3-thiazol-2-yl]piperazino}-3,3-dimethyl-1-butanone
CID 53158734
2-((1-(4-(Tert-butyl)piperidine-1-carbonyl)cyclopentyl)amino) thiazole-4-carbonitrile
CID 155384400
1-[3-[4-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 53535596
N-[3-(dimethylamino)propyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 4394267
[4-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 56027270
1-[3-[4-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]butan-1-one
CID 56028290
Cycloheptyl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 71934335
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 75405170

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile (CID 56819300) is 1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile is Cc1csc(N2CCCN(C(=O)C3(C#N)CCCC3)CC2)n1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is OVHYKQPMTABHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-13-11-22-15(18-13)20-8-4-7-19(9-10-20)14(21)16(12-17)5-2-3-6-16/h11H,2-10H2,1H3.
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile?
1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 318.45 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 56819300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).