N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide

C14H20F2N2OS — CID 175397021

IUPACN-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCC(F)(F)CC2)c(C(C)C)s1
InChIInChI=1S/C14H20F2N2OS/c1-8(2)12-11(17-9(3)20-12)13(19)18-10-4-6-14(15,16)7-5-10/h8,10H,4-7H2,1-3H3,(H,18,19)
InChIKeyYRBTZQCIMANIIZ-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.88
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 175397021) has the molecular formula C14H20F2N2OS and a molecular weight of 302.39 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID175397021
Molecular FormulaC14H20F2N2OS
Molecular Weight302.39 g/mol
Exact Mass302.13
IUPAC NameN-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCC(F)(F)CC2)c(C(C)C)s1
InChIInChI=1S/C14H20F2N2OS/c1-8(2)12-11(17-9(3)20-12)13(19)18-10-4-6-14(15,16)7-5-10/h8,10H,4-7H2,1-3H3,(H,18,19)
InChIKeyYRBTZQCIMANIIZ-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 175397021) is N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC2CCC(F)(F)CC2)c(C(C)C)s1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is YRBTZQCIMANIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2OS/c1-8(2)12-11(17-9(3)20-12)13(19)18-10-4-6-14(15,16)7-5-10/h8,10H,4-7H2,1-3H3,(H,18,19).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 302.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 175397021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).