N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide

C13H14F3N5O2S — CID 39853998

IUPACN,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(C(F)(F)F)nn2C)sc1C(=O)N(C)C
InChIInChI=1S/C13H14F3N5O2S/c1-6-9(11(23)20(2)3)24-12(17-6)18-10(22)7-5-8(13(14,15)16)19-21(7)4/h5H,1-4H3,(H,17,18,22)
InChIKeyATZRWSAJFGAGFZ-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.16
Rot. Bonds3

About N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 39853998) has the molecular formula C13H14F3N5O2S and a molecular weight of 361.35 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID39853998
Molecular FormulaC13H14F3N5O2S
Molecular Weight361.35 g/mol
Exact Mass361.08
IUPAC NameN,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(C(F)(F)F)nn2C)sc1C(=O)N(C)C
InChIInChI=1S/C13H14F3N5O2S/c1-6-9(11(23)20(2)3)24-12(17-6)18-10(22)7-5-8(13(14,15)16)19-21(7)4/h5H,1-4H3,(H,17,18,22)
InChIKeyATZRWSAJFGAGFZ-UHFFFAOYSA-N
XLogP2.16
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-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

1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide
CID 844718
US10065972, Example 313
CID 124154652
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 25854593
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56649132
N-(5-acetyl-4-methylthiazol-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 16952132
ethyl 2-(1,5-dimethyl-1H-pyrazole-3-carboxamido)-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate
CID 16952291
N-(5-acetyl-4-methylthiazol-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 16952740
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 25835687
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide
CID 25854624
N-(5-methyl-3-thia-1,5-diaza-4,5,6,7-tetrahydro-2-indenyl)-1-methyl-3-methyl-5-pyrazolecarboxamide
CID 30607782
N-(5-acetyl-4-methylthiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 42110938
N-(5-acetyl-4-methylthiazol-2-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 42138558

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 39853998) is N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2cc(C(F)(F)F)nn2C)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is ATZRWSAJFGAGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2S/c1-6-9(11(23)20(2)3)24-12(17-6)18-10(22)7-5-8(13(14,15)16)19-21(7)4/h5H,1-4H3,(H,17,18,22).
What are the key properties of N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39853998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).