2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide

C19H18N4O3S — CID 55790144

IUPAC2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cs2)cn1
InChIInChI=1S/C19H18N4O3S/c1-23-10-12(9-20-23)18-22-14(11-27-18)17(24)21-13-4-5-15-16(8-13)26-19(25-15)6-2-3-7-19/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,24)
InChIKeyUNAABZSDJNNRKB-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.84
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide

2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide (PubChem CID 55790144) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide
PubChem CID55790144
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cs2)cn1
InChIInChI=1S/C19H18N4O3S/c1-23-10-12(9-20-23)18-22-14(11-27-18)17(24)21-13-4-5-15-16(8-13)26-19(25-15)6-2-3-7-19/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,24)
InChIKeyUNAABZSDJNNRKB-UHFFFAOYSA-N
XLogP3.84
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 47048396
methyl 1-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylate
CID 119041122
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 47070474
methyl 3-[2-[3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]ethynyl]benzoate
CID 55788748
2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide
CID 86913347
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55933624
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167873536
N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129952
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 87002068
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55790313
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 94019812

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide (CID 55790144) is 2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide?
The InChIKey is UNAABZSDJNNRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-23-10-12(9-20-23)18-22-14(11-27-18)17(24)21-13-4-5-15-16(8-13)26-19(25-15)6-2-3-7-19/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,24).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55790144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).