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

C19H22N4O2S — CID 117087862

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(-c3c(C)nn(C)c3C)s2)cc1
InChIInChI=1S/C19H22N4O2S/c1-12-17(13(2)23(3)22-12)19-21-11-16(26-19)18(24)20-10-9-14-5-7-15(25-4)8-6-14/h5-8,11H,9-10H2,1-4H3,(H,20,24)
InChIKeyRFMKPDBZSOUYSZ-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.14
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 117087862) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID117087862
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(-c3c(C)nn(C)c3C)s2)cc1
InChIInChI=1S/C19H22N4O2S/c1-12-17(13(2)23(3)22-12)19-21-11-16(26-19)18(24)20-10-9-14-5-7-15(25-4)8-6-14/h5-8,11H,9-10H2,1-4H3,(H,20,24)
InChIKeyRFMKPDBZSOUYSZ-UHFFFAOYSA-N
XLogP3.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 74233096
2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 117091985
N-[2-(4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117086083
N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 117092091
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2355904
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 71995102
N-[2-(4-methoxyphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881598
2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119393111
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 117087862) is N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is COc1ccc(CCNC(=O)c2cnc(-c3c(C)nn(C)c3C)s2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is RFMKPDBZSOUYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-17(13(2)23(3)22-12)19-21-11-16(26-19)18(24)20-10-9-14-5-7-15(25-4)8-6-14/h5-8,11H,9-10H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117087862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).