N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C13H17F3N2OS — CID 71912498

IUPACN-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)N(CC2CC2)CC(F)(F)F)s1
InChIInChI=1S/C13H17F3N2OS/c1-8(2)11-17-5-10(20-11)12(19)18(6-9-3-4-9)7-13(14,15)16/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyXGFNVIZDTQTEMS-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.68
Rot. Bonds5

About N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 71912498) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID71912498
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC NameN-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)N(CC2CC2)CC(F)(F)F)s1
InChIInChI=1S/C13H17F3N2OS/c1-8(2)11-17-5-10(20-11)12(19)18(6-9-3-4-9)7-13(14,15)16/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyXGFNVIZDTQTEMS-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 71912498) is N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is CC(C)c1ncc(C(=O)N(CC2CC2)CC(F)(F)F)s1.
What is the InChIKey of N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XGFNVIZDTQTEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-8(2)11-17-5-10(20-11)12(19)18(6-9-3-4-9)7-13(14,15)16/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71912498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).