N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C18H19N5O3S2 — CID 55847165

IUPACN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ccc(S(=O)(=O)NC4CC4)cc3)cs2)cn1
InChIInChI=1S/C18H19N5O3S2/c1-23-10-13(9-20-23)18-21-16(11-27-18)17(24)19-8-12-2-6-15(7-3-12)28(25,26)22-14-4-5-14/h2-3,6-7,9-11,14,22H,4-5,8H2,1H3,(H,19,24)
InChIKeySERHLVLJWOFYGA-UHFFFAOYSA-N
MW417.52 g/mol
LogP1.91
Rot. Bonds7

About N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 55847165) has the molecular formula C18H19N5O3S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID55847165
Molecular FormulaC18H19N5O3S2
Molecular Weight417.52 g/mol
Exact Mass417.09
IUPAC NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ccc(S(=O)(=O)NC4CC4)cc3)cs2)cn1
InChIInChI=1S/C18H19N5O3S2/c1-23-10-13(9-20-23)18-21-16(11-27-18)17(24)19-8-12-2-6-15(7-3-12)28(25,26)22-14-4-5-14/h2-3,6-7,9-11,14,22H,4-5,8H2,1H3,(H,19,24)
InChIKeySERHLVLJWOFYGA-UHFFFAOYSA-N
XLogP1.91
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46492572
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CID 78887275
N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 75361451
N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86836671
2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55788904
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CID 51101862
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
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N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111484287
N-[2-(N-methylanilino)propyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55791148
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86866208
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 47070474
methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 55847165) is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NCc3ccc(S(=O)(=O)NC4CC4)cc3)cs2)cn1.
What is the InChIKey of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SERHLVLJWOFYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S2/c1-23-10-13(9-20-23)18-21-16(11-27-18)17(24)19-8-12-2-6-15(7-3-12)28(25,26)22-14-4-5-14/h2-3,6-7,9-11,14,22H,4-5,8H2,1H3,(H,19,24).
What are the key properties of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55847165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).