[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone

C14H16ClN3OS2 — CID 119470707

IUPAC[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCNCC1C
InChIInChI=1S/C14H16ClN3OS2/c1-8-7-16-5-6-18(8)14(19)12-9(2)17-13(21-12)10-3-4-11(15)20-10/h3-4,8,16H,5-7H2,1-2H3
InChIKeyMBADSVUFHROEQZ-UHFFFAOYSA-N
MW341.89 g/mol
LogP3.27
Rot. Bonds2

About [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone

[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone (PubChem CID 119470707) has the molecular formula C14H16ClN3OS2 and a molecular weight of 341.89 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone
PubChem CID119470707
Molecular FormulaC14H16ClN3OS2
Molecular Weight341.89 g/mol
Exact Mass341.04
IUPAC Name[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCNCC1C
InChIInChI=1S/C14H16ClN3OS2/c1-8-7-16-5-6-18(8)14(19)12-9(2)17-13(21-12)10-3-4-11(15)20-10/h3-4,8,16H,5-7H2,1-2H3
InChIKeyMBADSVUFHROEQZ-UHFFFAOYSA-N
XLogP3.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 119473571
(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704719
2-(5-chlorothiophen-2-yl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119450424
(3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125152105
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119473197
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118470
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471425
2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119445691
2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470836
5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide
CID 122147631
[2-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120801878
[(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea
CID 97249017

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone (CID 119470707) is [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone is Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCNCC1C.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone?
The InChIKey is MBADSVUFHROEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS2/c1-8-7-16-5-6-18(8)14(19)12-9(2)17-13(21-12)10-3-4-11(15)20-10/h3-4,8,16H,5-7H2,1-2H3.
What are the key properties of [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone?
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone has a molecular weight of 341.89 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119470707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).