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

C15H20N4OS — CID 35165637

IUPAC1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCc1csc(N2CCN(C(=O)C3(C#N)CCCC3)CC2)n1
InChIInChI=1S/C15H20N4OS/c1-12-10-21-14(17-12)19-8-6-18(7-9-19)13(20)15(11-16)4-2-3-5-15/h10H,2-9H2,1H3
InChIKeyPNIMBWHDQJMXAU-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.18
Rot. Bonds2

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

1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 35165637) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID35165637
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCc1csc(N2CCN(C(=O)C3(C#N)CCCC3)CC2)n1
InChIInChI=1S/C15H20N4OS/c1-12-10-21-14(17-12)19-8-6-18(7-9-19)13(20)15(11-16)4-2-3-5-15/h10H,2-9H2,1H3
InChIKeyPNIMBWHDQJMXAU-UHFFFAOYSA-N
XLogP2.18
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile
CID 56819300
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 56819378
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-[1-(4-Methyl-1,3-thiazol-2-YL)piperidin-4-YL]ethyl}pyrrolidin-2-one
CID 70754973
2-Cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158495
Cyclopentyl-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158499
Cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158576
1-({2-[4-(Cyclopentylcarbonyl)piperazin-1-yl]-1,3-thiazol-4-yl}methyl)azepane
CID 53158609
4-Methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-one
CID 53158726
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile (CID 35165637) is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile is Cc1csc(N2CCN(C(=O)C3(C#N)CCCC3)CC2)n1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is PNIMBWHDQJMXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-12-10-21-14(17-12)19-8-6-18(7-9-19)13(20)15(11-16)4-2-3-5-15/h10H,2-9H2,1H3.
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 304.42 g/mol, XLogP of 2.18, 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)piperazine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 35165637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).