2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile

C10H12N4OS — CID 82510699

IUPAC2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile
SMILESN#CCc1nc(C(=O)N2CCNCC2)cs1
InChIInChI=1S/C10H12N4OS/c11-2-1-9-13-8(7-16-9)10(15)14-5-3-12-4-6-14/h7,12H,1,3-6H2
InChIKeyGRKAEIUMHKHVSB-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.25
Rot. Bonds2

About 2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile

2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile (PubChem CID 82510699) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile
PubChem CID82510699
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile
SMILESN#CCc1nc(C(=O)N2CCNCC2)cs1
InChIInChI=1S/C10H12N4OS/c11-2-1-9-13-8(7-16-9)10(15)14-5-3-12-4-6-14/h7,12H,1,3-6H2
InChIKeyGRKAEIUMHKHVSB-UHFFFAOYSA-N
XLogP0.25
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dimethylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515115
[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82509879
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
2-[4-(piperazine-1-carbonyl)phenyl]acetonitrile
CID 82179229
4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 66378570
[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515785
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
CID 153338332
(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 58168456
1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
CID 119418759
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 119860162
[2-(aminomethyl)-1,3-thiazol-4-yl]-(8-azaspiro[4.5]decan-8-yl)methanone
CID 66379254

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile?
The IUPAC name of 2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile (CID 82510699) is 2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile is N#CCc1nc(C(=O)N2CCNCC2)cs1.
What is the InChIKey of 2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile?
The InChIKey is GRKAEIUMHKHVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c11-2-1-9-13-8(7-16-9)10(15)14-5-3-12-4-6-14/h7,12H,1,3-6H2.
What are the key properties of 2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile?
2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile has a molecular weight of 236.30 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile is sourced from PubChem (CID 82510699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).