N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide

C10H11N5O3S — CID 167959132

IUPACN-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide
SMILESCCOc1ncc(C(=O)Nc2cn[nH]c2C(N)=O)s1
InChIInChI=1S/C10H11N5O3S/c1-2-18-10-12-4-6(19-10)9(17)14-5-3-13-15-7(5)8(11)16/h3-4H,2H2,1H3,(H2,11,16)(H,13,15)(H,14,17)
InChIKeyCSMUNWPYXAGHJO-UHFFFAOYSA-N
MW281.30 g/mol
LogP0.62
Rot. Bonds5

About N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide

N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide (PubChem CID 167959132) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide
PubChem CID167959132
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC NameN-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide
SMILESCCOc1ncc(C(=O)Nc2cn[nH]c2C(N)=O)s1
InChIInChI=1S/C10H11N5O3S/c1-2-18-10-12-4-6(19-10)9(17)14-5-3-13-15-7(5)8(11)16/h3-4H,2H2,1H3,(H2,11,16)(H,13,15)(H,14,17)
InChIKeyCSMUNWPYXAGHJO-UHFFFAOYSA-N
XLogP0.62
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide
CID 143263888
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474
4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 63105944
N-(2-ethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86997626
4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 63103395
ethyl 4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 11719428
4-butyl-1H-pyrazole-5-carboxamide
CID 141158124
2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide
CID 141271026
N-cyclohexyl-4-[(2-ethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;methanol
CID 143263304
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 86940566
4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide
CID 118714297

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide (CID 167959132) is N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide is CCOc1ncc(C(=O)Nc2cn[nH]c2C(N)=O)s1.
What is the InChIKey of N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide?
The InChIKey is CSMUNWPYXAGHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-2-18-10-12-4-6(19-10)9(17)14-5-3-13-15-7(5)8(11)16/h3-4H,2H2,1H3,(H2,11,16)(H,13,15)(H,14,17).
What are the key properties of N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide?
N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide has a molecular weight of 281.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-1H-pyrazol-4-yl)-2-ethoxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167959132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).