4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine

C21H21N5OS — CID 87514486

IUPAC4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCCc1nn(Cc2ccc(OC)cc2)cc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C21H21N5OS/c1-3-18-17(13-26(25-18)12-15-7-9-16(27-2)10-8-15)19-14-28-21(23-19)24-20-6-4-5-11-22-20/h4-11,13-14H,3,12H2,1-2H3,(H,22,23,24)
InChIKeyJQSXHFSWBALBGA-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.76
Rot. Bonds7

About 4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine

4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 87514486) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID87514486
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCCc1nn(Cc2ccc(OC)cc2)cc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C21H21N5OS/c1-3-18-17(13-26(25-18)12-15-7-9-16(27-2)10-8-15)19-14-28-21(23-19)24-20-6-4-5-11-22-20/h4-11,13-14H,3,12H2,1-2H3,(H,22,23,24)
InChIKeyJQSXHFSWBALBGA-UHFFFAOYSA-N
XLogP4.76
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 87402568
4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25342683
4-(4-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine
CID 86692031
4-(2-fluorophenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264886
1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 176859767
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
N-pyridin-2-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 122499786
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 30296649
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126797870

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 87514486) is 4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine is CCc1nn(Cc2ccc(OC)cc2)cc1-c1csc(Nc2ccccn2)n1.
What is the InChIKey of 4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is JQSXHFSWBALBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-3-18-17(13-26(25-18)12-15-7-9-16(27-2)10-8-15)19-14-28-21(23-19)24-20-6-4-5-11-22-20/h4-11,13-14H,3,12H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 391.50 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 87514486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).