N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide

C13H17F3N2OS — CID 71858990

IUPACN-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H17F3N2OS/c14-13(15,16)6-7-18(10-4-2-1-3-5-10)12(19)11-8-20-9-17-11/h8-10H,1-7H2
InChIKeyJRYJKJTVBZAEKV-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.87
Rot. Bonds4

About N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide

N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide (PubChem CID 71858990) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide
PubChem CID71858990
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC NameN-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H17F3N2OS/c14-13(15,16)6-7-18(10-4-2-1-3-5-10)12(19)11-8-20-9-17-11/h8-10H,1-7H2
InChIKeyJRYJKJTVBZAEKV-UHFFFAOYSA-N
XLogP3.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide (CID 71858990) is N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide is O=C(c1cscn1)N(CCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JRYJKJTVBZAEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c14-13(15,16)6-7-18(10-4-2-1-3-5-10)12(19)11-8-20-9-17-11/h8-10H,1-7H2.
What are the key properties of N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide?
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71858990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).