ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate

C18H18N4O3S — CID 1498339

IUPACethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-n2nc(-c3ccc(C)cc3)cc2NC(C)=O)n1
InChIInChI=1S/C18H18N4O3S/c1-4-25-17(24)15-10-26-18(20-15)22-16(19-12(3)23)9-14(21-22)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H,19,23)
InChIKeyXHKSGKXYGKBDLL-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.44
Rot. Bonds5

About ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate (PubChem CID 1498339) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
PubChem CID1498339
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Nameethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-n2nc(-c3ccc(C)cc3)cc2NC(C)=O)n1
InChIInChI=1S/C18H18N4O3S/c1-4-25-17(24)15-10-26-18(20-15)22-16(19-12(3)23)9-14(21-22)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H,19,23)
InChIKeyXHKSGKXYGKBDLL-UHFFFAOYSA-N
XLogP3.44
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 4873520
N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1490075
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25281829
N-[3-(4-chlorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
CID 1489999
N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
CID 1490007
2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 1489969
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 43951121
ethyl 5-amino-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylate
CID 4140110
ethyl 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 67071978
ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate
CID 17038813
ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 16952741
ethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 42111324

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate (CID 1498339) is ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-n2nc(-c3ccc(C)cc3)cc2NC(C)=O)n1.
What is the InChIKey of ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is XHKSGKXYGKBDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-4-25-17(24)15-10-26-18(20-15)22-16(19-12(3)23)9-14(21-22)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H,19,23).
What are the key properties of ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 1498339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).