1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine

C17H14N4OS2 — CID 1474403

IUPAC1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine
SMILESCOc1ccc(-c2csc(-n3ncc(-c4cccs4)c3N)n2)cc1
InChIInChI=1S/C17H14N4OS2/c1-22-12-6-4-11(5-7-12)14-10-24-17(20-14)21-16(18)13(9-19-21)15-3-2-8-23-15/h2-10H,18H2,1H3
InChIKeyCANUGVKYRMGANN-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.32
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine

1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 1474403) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine
PubChem CID1474403
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC Name1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine
SMILESCOc1ccc(-c2csc(-n3ncc(-c4cccs4)c3N)n2)cc1
InChIInChI=1S/C17H14N4OS2/c1-22-12-6-4-11(5-7-12)14-10-24-17(20-14)21-16(18)13(9-19-21)15-3-2-8-23-15/h2-10H,18H2,1H3
InChIKeyCANUGVKYRMGANN-UHFFFAOYSA-N
XLogP4.32
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[2-(1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl ether
CID 1481752
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474438
1H-Pyrazol-5-amine, 3-(4-methoxyphenyl)-1-(4-phenyl-2-thiazolyl)-
CID 852600
7-(2-Fluoro-4-methoxyphenyl)-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 71703186
5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazole-4-carbonitrile
CID 2086961
1H-Pyrazol-5-amine, 1-(4-(4-chlorophenyl)-2-thiazolyl)-3-(4-methoxyphenyl)-
CID 1498371
1H-Pyrazol-5-amine, 1-(4-(4-bromophenyl)-2-thiazolyl)-3-(4-methoxyphenyl)-
CID 1498372
4-(4-Methoxyphenyl)-2-[3-(4-pyridyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]thiazole
CID 16124683
4-(4-Methoxyphenyl)-2-[3-(3-pyridyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]thiazole
CID 16125949
4-(4-Methoxyphenyl)-2-[3-(2-pyridyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]thiazole
CID 16125951
4-(4-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189490
4-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189491

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine (CID 1474403) is 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine is COc1ccc(-c2csc(-n3ncc(-c4cccs4)c3N)n2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is CANUGVKYRMGANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c1-22-12-6-4-11(5-7-12)14-10-24-17(20-14)21-16(18)13(9-19-21)15-3-2-8-23-15/h2-10H,18H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine?
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine has a molecular weight of 354.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 1474403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).