4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

C16H15F3N4S — CID 126464883

IUPAC4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccc(C(F)(F)F)cc2)sc1-c1ccn(C)n1
InChIInChI=1S/C16H15F3N4S/c1-10-14(13-7-8-23(2)22-13)24-15(21-10)20-9-11-3-5-12(6-4-11)16(17,18)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyJSYGGRFFHPYCEO-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.48
Rot. Bonds4

About 4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 126464883) has the molecular formula C16H15F3N4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID126464883
Molecular FormulaC16H15F3N4S
Molecular Weight352.39 g/mol
Exact Mass352.10
IUPAC Name4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccc(C(F)(F)F)cc2)sc1-c1ccn(C)n1
InChIInChI=1S/C16H15F3N4S/c1-10-14(13-7-8-23(2)22-13)24-15(21-10)20-9-11-3-5-12(6-4-11)16(17,18)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyJSYGGRFFHPYCEO-UHFFFAOYSA-N
XLogP4.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (CID 126464883) is 4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is Cc1nc(NCc2ccc(C(F)(F)F)cc2)sc1-c1ccn(C)n1.
What is the InChIKey of 4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is JSYGGRFFHPYCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4S/c1-10-14(13-7-8-23(2)22-13)24-15(21-10)20-9-11-3-5-12(6-4-11)16(17,18)19/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 352.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126464883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).