5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile

C14H11N5OS — CID 2086961

IUPAC5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile
SMILESCOc1ccccc1-c1csc(-n2ncc(C#N)c2N)n1
InChIInChI=1S/C14H11N5OS/c1-20-12-5-3-2-4-10(12)11-8-21-14(18-11)19-13(16)9(6-15)7-17-19/h2-5,7-8H,16H2,1H3
InChIKeyIYNKGFHSFZKWKD-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.46
Rot. Bonds3

About 5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile

5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile (PubChem CID 2086961) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile
PubChem CID2086961
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile
SMILESCOc1ccccc1-c1csc(-n2ncc(C#N)c2N)n1
InChIInChI=1S/C14H11N5OS/c1-20-12-5-3-2-4-10(12)11-8-21-14(18-11)19-13(16)9(6-15)7-17-19/h2-5,7-8H,16H2,1H3
InChIKeyIYNKGFHSFZKWKD-UHFFFAOYSA-N
XLogP2.46
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.46
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-thienyl)-1H-pyrazol-5-amine
CID 1474403
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
3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine
CID 75435607
3-(3-methoxyphenyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
CID 84592280
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
4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189492
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-5-amine
CID 33676818
1-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine
CID 1498373
3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 1498374

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile (CID 2086961) is 5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile is COc1ccccc1-c1csc(-n2ncc(C#N)c2N)n1.
What is the InChIKey of 5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile?
The InChIKey is IYNKGFHSFZKWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c1-20-12-5-3-2-4-10(12)11-8-21-14(18-11)19-13(16)9(6-15)7-17-19/h2-5,7-8H,16H2,1H3.
What are the key properties of 5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile?
5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile has a molecular weight of 297.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 2086961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).