(4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C13H15ClN4OS — CID 35165527

IUPAC(4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1csc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1
InChIInChI=1S/C13H15ClN4OS/c1-9-8-20-13(16-9)18-4-2-17(3-5-18)12(19)11-6-10(14)7-15-11/h6-8,15H,2-5H2,1H3
InChIKeyOAIJFTAMGWWPKH-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.40
Rot. Bonds2

About (4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 35165527) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID35165527
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1csc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1
InChIInChI=1S/C13H15ClN4OS/c1-9-8-20-13(16-9)18-4-2-17(3-5-18)12(19)11-6-10(14)7-15-11/h6-8,15H,2-5H2,1H3
InChIKeyOAIJFTAMGWWPKH-UHFFFAOYSA-N
XLogP2.40
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18143112
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 60509226
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110710921
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120642693
(4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706740
(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56820747
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
(4-chloro-1H-pyrrol-2-yl)-[4-[5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 166306444
furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 47381052
(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 136573394
(2S)-2-amino-3,3-dimethyl-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119851692

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 35165527) is (4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1csc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is OAIJFTAMGWWPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-9-8-20-13(16-9)18-4-2-17(3-5-18)12(19)11-6-10(14)7-15-11/h6-8,15H,2-5H2,1H3.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 310.81 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 35165527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).