4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

C15H18F3N5OS2 — CID 155709490

IUPAC4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCC(F)(F)F)c(Nc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C15H18F3N5OS2/c1-14(2,3)9-6-26-13(21-9)23-10-8(5-19-12(22-10)25-4)11(24)20-7-15(16,17)18/h5-6H,7H2,1-4H3,(H,20,24)(H,19,21,22,23)
InChIKeyXCHMPMZWWHUNHN-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.99
Rot. Bonds5

About 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (PubChem CID 155709490) has the molecular formula C15H18F3N5OS2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
PubChem CID155709490
Molecular FormulaC15H18F3N5OS2
Molecular Weight405.47 g/mol
Exact Mass405.09
IUPAC Name4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCC(F)(F)F)c(Nc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C15H18F3N5OS2/c1-14(2,3)9-6-26-13(21-9)23-10-8(5-19-12(22-10)25-4)11(24)20-7-15(16,17)18/h5-6H,7H2,1-4H3,(H,20,24)(H,19,21,22,23)
InChIKeyXCHMPMZWWHUNHN-UHFFFAOYSA-N
XLogP3.99
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide 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

2-Methyl-2-[4-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide
CID 130419525
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419714
2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 56744913
2-(ethylamino)-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-5-pyrimidinecarboxamide
CID 72931734
2-cyclopropyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 125516607
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 126785255
1-(4-Tert-butyl-1,3-thiazol-2-yl)-6-methylsulfanyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidin-3-one
CID 155193477
2-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-5-carboxamide
CID 75510896
2-Amino-N-[2-(1,3-thiazol-4-YL)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 77093881
Piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone
CID 167786805
N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide
CID 46963841
1-(4-Tert-butyl-1,3-thiazol-2-yl)-6-methylsulfanyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 155193399

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (CID 155709490) is 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is CSc1ncc(C(=O)NCC(F)(F)F)c(Nc2nc(C(C)(C)C)cs2)n1.
What is the InChIKey of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The InChIKey is XCHMPMZWWHUNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS2/c1-14(2,3)9-6-26-13(21-9)23-10-8(5-19-12(22-10)25-4)11(24)20-7-15(16,17)18/h5-6H,7H2,1-4H3,(H,20,24)(H,19,21,22,23).
What are the key properties of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 155709490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).