N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide

C13H11F3N4OS — CID 154782020

IUPACN-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1cnc(-c2ncccn2)s1)C1(C(F)(F)F)CC1
InChIInChI=1S/C13H11F3N4OS/c1-20(12(3-4-12)13(14,15)16)11(21)8-7-19-10(22-8)9-17-5-2-6-18-9/h2,5-7H,3-4H2,1H3
InChIKeyOUCIGHMNUAIAPC-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.77
Rot. Bonds3

About N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide

N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide (PubChem CID 154782020) has the molecular formula C13H11F3N4OS and a molecular weight of 328.32 g/mol. Its IUPAC name is N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
PubChem CID154782020
Molecular FormulaC13H11F3N4OS
Molecular Weight328.32 g/mol
Exact Mass328.06
IUPAC NameN-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1cnc(-c2ncccn2)s1)C1(C(F)(F)F)CC1
InChIInChI=1S/C13H11F3N4OS/c1-20(12(3-4-12)13(14,15)16)11(21)8-7-19-10(22-8)9-17-5-2-6-18-9/h2,5-7H,3-4H2,1H3
InChIKeyOUCIGHMNUAIAPC-UHFFFAOYSA-N
XLogP2.77
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide (CID 154782020) is N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide is CN(C(=O)c1cnc(-c2ncccn2)s1)C1(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OUCIGHMNUAIAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4OS/c1-20(12(3-4-12)13(14,15)16)11(21)8-7-19-10(22-8)9-17-5-2-6-18-9/h2,5-7H,3-4H2,1H3.
What are the key properties of N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154782020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).