[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride

C18H23Cl2N3OS2 — CID 119622366

IUPAC[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C18H22ClN3OS2.ClH/c1-11-16(25-17(21-11)14-4-5-15(19)24-14)18(23)22-8-6-13(7-9-22)20-10-12-2-3-12;/h4-5,12-13,20H,2-3,6-10H2,1H3;1H
InChIKeyACHRGDSFOIUEQU-UHFFFAOYSA-N
MW432.44 g/mol
LogP4.86
Rot. Bonds5

About [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride

[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119622366) has the molecular formula C18H23Cl2N3OS2 and a molecular weight of 432.44 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119622366
Molecular FormulaC18H23Cl2N3OS2
Molecular Weight432.44 g/mol
Exact Mass431.07
IUPAC Name[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C18H22ClN3OS2.ClH/c1-11-16(25-17(21-11)14-4-5-15(19)24-14)18(23)22-8-6-13(7-9-22)20-10-12-2-3-12;/h4-5,12-13,20H,2-3,6-10H2,1H3;1H
InChIKeyACHRGDSFOIUEQU-UHFFFAOYSA-N
XLogP4.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119624282
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119624283
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 119625359
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone
CID 119624366
[(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea
CID 97249017
[4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 119543267
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118470
2-(5-chlorothiophen-2-yl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119450424
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride
CID 119625339
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119510760

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride (CID 119622366) is [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride is Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is ACHRGDSFOIUEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS2.ClH/c1-11-16(25-17(21-11)14-4-5-15(19)24-14)18(23)22-8-6-13(7-9-22)20-10-12-2-3-12;/h4-5,12-13,20H,2-3,6-10H2,1H3;1H.
What are the key properties of [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride?
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 432.44 g/mol, XLogP of 4.86, 5 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]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119622366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).