2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

C16H14ClN5O2S — CID 78852602

IUPAC2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCCc1c(C(=O)Nc2ncc(C(N)=O)s2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN5O2S/c1-2-12-11(7-20-22(12)10-5-3-4-9(17)6-10)15(24)21-16-19-8-13(25-16)14(18)23/h3-8H,2H2,1H3,(H2,18,23)(H,19,21,24)
InChIKeyPYHWHOYFZPBDMC-UHFFFAOYSA-N
MW375.84 g/mol
LogP2.90
Rot. Bonds5

About 2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 78852602) has the molecular formula C16H14ClN5O2S and a molecular weight of 375.84 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID78852602
Molecular FormulaC16H14ClN5O2S
Molecular Weight375.84 g/mol
Exact Mass375.06
IUPAC Name2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCCc1c(C(=O)Nc2ncc(C(N)=O)s2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN5O2S/c1-2-12-11(7-20-22(12)10-5-3-4-9(17)6-10)15(24)21-16-19-8-13(25-16)14(18)23/h3-8H,2H2,1H3,(H2,18,23)(H,19,21,24)
InChIKeyPYHWHOYFZPBDMC-UHFFFAOYSA-N
XLogP2.90
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 78852602) is 2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is CCc1c(C(=O)Nc2ncc(C(N)=O)s2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is PYHWHOYFZPBDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2S/c1-2-12-11(7-20-22(12)10-5-3-4-9(17)6-10)15(24)21-16-19-8-13(25-16)14(18)23/h3-8H,2H2,1H3,(H2,18,23)(H,19,21,24).
What are the key properties of 2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78852602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).