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

C12H13ClN4OS — CID 18143112

IUPAC(4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H13ClN4OS/c13-9-7-10(15-8-9)11(18)16-2-4-17(5-3-16)12-14-1-6-19-12/h1,6-8,15H,2-5H2
InChIKeyDELAHFVSFJYKEJ-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.09
Rot. Bonds2

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

(4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 18143112) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID18143112
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H13ClN4OS/c13-9-7-10(15-8-9)11(18)16-2-4-17(5-3-16)12-14-1-6-19-12/h1,6-8,15H,2-5H2
InChIKeyDELAHFVSFJYKEJ-UHFFFAOYSA-N
XLogP2.09
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
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CID 60858865
(2,5-dichlorothiophen-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306337
(6-chloropyrazin-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103186918
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56820747
1,3-thiazol-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 73439229
(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 62511266
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
(4-chloro-1H-pyrrol-2-yl)-[4-[5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 166306444
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 18143112) is (4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1cc(Cl)c[nH]1)N1CCN(c2nccs2)CC1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is DELAHFVSFJYKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c13-9-7-10(15-8-9)11(18)16-2-4-17(5-3-16)12-14-1-6-19-12/h1,6-8,15H,2-5H2.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 296.78 g/mol, XLogP of 2.09, 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-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 18143112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).