N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C21H17N5O2S — CID 55933624

IUPACN-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3ccccc3NC(=O)c3ccccc3)cs2)cn1
InChIInChI=1S/C21H17N5O2S/c1-26-12-15(11-22-26)21-25-18(13-29-21)20(28)24-17-10-6-5-9-16(17)23-19(27)14-7-3-2-4-8-14/h2-13H,1H3,(H,23,27)(H,24,28)
InChIKeyYPEXQGAYXWRBMF-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.05
Rot. Bonds5

About N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 55933624) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID55933624
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC NameN-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3ccccc3NC(=O)c3ccccc3)cs2)cn1
InChIInChI=1S/C21H17N5O2S/c1-26-12-15(11-22-26)21-25-18(13-29-21)20(28)24-17-10-6-5-9-16(17)23-19(27)14-7-3-2-4-8-14/h2-13H,1H3,(H,23,27)(H,24,28)
InChIKeyYPEXQGAYXWRBMF-UHFFFAOYSA-N
XLogP4.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119187518
tert-butyl N-[2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-4-(trifluoromethyl)phenyl]carbamate
CID 55970622
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide
CID 55786551
N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55790210
2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 47048396
methyl 3-[2-[3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]ethynyl]benzoate
CID 55788748
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 87002068
2-(1-hydroxypyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122641867
N-[1-(2-bromophenyl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 47047800
N-[2-(N-methylanilino)propyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55791148
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 47070474

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 55933624) is N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)Nc3ccccc3NC(=O)c3ccccc3)cs2)cn1.
What is the InChIKey of N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YPEXQGAYXWRBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-26-12-15(11-22-26)21-25-18(13-29-21)20(28)24-17-10-6-5-9-16(17)23-19(27)14-7-3-2-4-8-14/h2-13H,1H3,(H,23,27)(H,24,28).
What are the key properties of N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55933624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).