4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine

C15H13F3N4S — CID 26343224

IUPAC4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2c(F)ccc(F)c2F)sc1-c1ccn(C)n1
InChIInChI=1S/C15H13F3N4S/c1-8-14(12-5-6-22(2)21-12)23-15(20-8)19-7-9-10(16)3-4-11(17)13(9)18/h3-6H,7H2,1-2H3,(H,19,20)
InChIKeyWJWNPOSOPQULDQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.88
Rot. Bonds4

About 4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine

4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 26343224) has the molecular formula C15H13F3N4S and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID26343224
Molecular FormulaC15H13F3N4S
Molecular Weight338.36 g/mol
Exact Mass338.08
IUPAC Name4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2c(F)ccc(F)c2F)sc1-c1ccn(C)n1
InChIInChI=1S/C15H13F3N4S/c1-8-14(12-5-6-22(2)21-12)23-15(20-8)19-7-9-10(16)3-4-11(17)13(9)18/h3-6H,7H2,1-2H3,(H,19,20)
InChIKeyWJWNPOSOPQULDQ-UHFFFAOYSA-N
XLogP3.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

Adx88178
CID 46836872
N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
4-(1,5-Dimethyl-1H-pyrazol-4-yl)-thiazol-2-ylamine
CID 6485377
5-methyl-4-(1H-pyrazol-4-yl)-N-(pyridin-2-yl)thiazol-2-amine
CID 25138329
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
N-(5-fluoro-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 46836566
N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 53387723
N-(3-methyl-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 53387887
N-(5-methyl-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 53388040
4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615269
4-(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 6485390

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine (CID 26343224) is 4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine is Cc1nc(NCc2c(F)ccc(F)c2F)sc1-c1ccn(C)n1.
What is the InChIKey of 4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is WJWNPOSOPQULDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4S/c1-8-14(12-5-6-22(2)21-12)23-15(20-8)19-7-9-10(16)3-4-11(17)13(9)18/h3-6H,7H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
4-methyl-5-(1-methylpyrazol-3-yl)-N-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 338.36 g/mol, XLogP of 3.88, 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-[(2,3,6-trifluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 26343224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).