2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C19H22N4O2S — CID 70767045

IUPAC2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N(C)Cc2cnn(-c3cccc(OC)c3)c2)s1
InChIInChI=1S/C19H22N4O2S/c1-5-17-21-13(2)18(26-17)19(24)22(3)11-14-10-20-23(12-14)15-7-6-8-16(9-15)25-4/h6-10,12H,5,11H2,1-4H3
InChIKeyYKQACSPVOJJRGN-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.48
Rot. Bonds6

About 2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 70767045) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID70767045
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N(C)Cc2cnn(-c3cccc(OC)c3)c2)s1
InChIInChI=1S/C19H22N4O2S/c1-5-17-21-13(2)18(26-17)19(24)22(3)11-14-10-20-23(12-14)15-7-6-8-16(9-15)25-4/h6-10,12H,5,11H2,1-4H3
InChIKeyYKQACSPVOJJRGN-UHFFFAOYSA-N
XLogP3.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 70767045) is 2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)N(C)Cc2cnn(-c3cccc(OC)c3)c2)s1.
What is the InChIKey of 2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YKQACSPVOJJRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-5-17-21-13(2)18(26-17)19(24)22(3)11-14-10-20-23(12-14)15-7-6-8-16(9-15)25-4/h6-10,12H,5,11H2,1-4H3.
What are the key properties of 2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70767045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).