2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

C11H10F3N5OS — CID 77093881

IUPAC2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)NCCc2cscn2)c(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5OS/c12-11(13,14)8-7(3-17-10(15)19-8)9(20)16-2-1-6-4-21-5-18-6/h3-5H,1-2H2,(H,16,20)(H2,15,17,19)
InChIKeyJPCNHPPPTJOBRR-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.51
Rot. Bonds4

About 2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 77093881) has the molecular formula C11H10F3N5OS and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID77093881
Molecular FormulaC11H10F3N5OS
Molecular Weight317.30 g/mol
Exact Mass317.06
IUPAC Name2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)NCCc2cscn2)c(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5OS/c12-11(13,14)8-7(3-17-10(15)19-8)9(20)16-2-1-6-4-21-5-18-6/h3-5H,1-2H2,(H,16,20)(H2,15,17,19)
InChIKeyJPCNHPPPTJOBRR-UHFFFAOYSA-N
XLogP1.51
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)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

4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47284373
2-(2-(pyrimidin-2-ylamino)thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 49677921
2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 56744913
[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 56802180
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 72006788
2-(dimethylamino)-4-methyl-N-{2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72840148
2-(ethylamino)-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-5-pyrimidinecarboxamide
CID 72931734
4-ethyl-2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-5-carboxamide
CID 72003744
1-(2-{[3-(2-Amino-1,3-thiazol-4-YL)propyl]amino}-4-methylpyrimidin-5-YL)ethanone
CID 72933882
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
2-methyl-4-propan-2-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 126788028

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 77093881) is 2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide is Nc1ncc(C(=O)NCCc2cscn2)c(C(F)(F)F)n1.
What is the InChIKey of 2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is JPCNHPPPTJOBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5OS/c12-11(13,14)8-7(3-17-10(15)19-8)9(20)16-2-1-6-4-21-5-18-6/h3-5H,1-2H2,(H,16,20)(H2,15,17,19).
What are the key properties of 2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 77093881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).