N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C16H13F3N4OS2 — CID 58416145

IUPACN-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(-c2cccnc2)sc1-c1nc(C(=O)N(C)CC(F)(F)F)cs1
InChIInChI=1S/C16H13F3N4OS2/c1-9-12(26-13(21-9)10-4-3-5-20-6-10)14-22-11(7-25-14)15(24)23(2)8-16(17,18)19/h3-7H,8H2,1-2H3
InChIKeyFKLRCEFJCGRFAO-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.27
Rot. Bonds4

About N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 58416145) has the molecular formula C16H13F3N4OS2 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID58416145
Molecular FormulaC16H13F3N4OS2
Molecular Weight398.44 g/mol
Exact Mass398.05
IUPAC NameN-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(-c2cccnc2)sc1-c1nc(C(=O)N(C)CC(F)(F)F)cs1
InChIInChI=1S/C16H13F3N4OS2/c1-9-12(26-13(21-9)10-4-3-5-20-6-10)14-22-11(7-25-14)15(24)23(2)8-16(17,18)19/h3-7H,8H2,1-2H3
InChIKeyFKLRCEFJCGRFAO-UHFFFAOYSA-N
XLogP4.27
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 58416145) is N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is Cc1nc(-c2cccnc2)sc1-c1nc(C(=O)N(C)CC(F)(F)F)cs1.
What is the InChIKey of N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FKLRCEFJCGRFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS2/c1-9-12(26-13(21-9)10-4-3-5-20-6-10)14-22-11(7-25-14)15(24)23(2)8-16(17,18)19/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58416145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).