4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C16H15F3N8S — CID 145105115

IUPAC4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1nccc(-c2csc(NC3=NCCCN3)n2)n1
InChIInChI=1S/C16H15F3N8S/c1-27-11(7-12(26-27)16(17,18)19)13-20-6-3-9(23-13)10-8-28-15(24-10)25-14-21-4-2-5-22-14/h3,6-8H,2,4-5H2,1H3,(H2,21,22,24,25)
InChIKeyYSCXKTGAZBBCQE-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.78
Rot. Bonds3

About 4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145105115) has the molecular formula C16H15F3N8S and a molecular weight of 408.41 g/mol. Its IUPAC name is 4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145105115
Molecular FormulaC16H15F3N8S
Molecular Weight408.41 g/mol
Exact Mass408.11
IUPAC Name4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1nccc(-c2csc(NC3=NCCCN3)n2)n1
InChIInChI=1S/C16H15F3N8S/c1-27-11(7-12(26-27)16(17,18)19)13-20-6-3-9(23-13)10-8-28-15(24-10)25-14-21-4-2-5-22-14/h3,6-8H,2,4-5H2,1H3,(H2,21,22,24,25)
InChIKeyYSCXKTGAZBBCQE-UHFFFAOYSA-N
XLogP2.78
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrimidin-2-yl]benzonitrile
CID 145104275
4-[2-[3-(3-methoxypropoxy)-1-methylpyrazol-5-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104942
4-(2-chloro-4-pyridinyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104006
4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104153
2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]phenol
CID 145104911
tert-butyl 3-[6-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-2-pyridinyl]benzoate
CID 145104888
4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105105
4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105067
4-(4-methylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104897
N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 145104626
4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104564
4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104831

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145105115) is 4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is Cn1nc(C(F)(F)F)cc1-c1nccc(-c2csc(NC3=NCCCN3)n2)n1.
What is the InChIKey of 4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is YSCXKTGAZBBCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N8S/c1-27-11(7-12(26-27)16(17,18)19)13-20-6-3-9(23-13)10-8-28-15(24-10)25-14-21-4-2-5-22-14/h3,6-8H,2,4-5H2,1H3,(H2,21,22,24,25).
What are the key properties of 4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 408.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145105115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).