N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide

C15H22F2N2OS — CID 126792438

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCC(C)(C)c1csc(CNC(=O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H22F2N2OS/c1-14(2,3)11-9-21-12(19-11)8-18-13(20)10-4-6-15(16,17)7-5-10/h9-10H,4-8H2,1-3H3,(H,18,20)
InChIKeyRAVCUBKCQBONSB-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.88
Rot. Bonds3

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 126792438) has the molecular formula C15H22F2N2OS and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID126792438
Molecular FormulaC15H22F2N2OS
Molecular Weight316.42 g/mol
Exact Mass316.14
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCC(C)(C)c1csc(CNC(=O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H22F2N2OS/c1-14(2,3)11-9-21-12(19-11)8-18-13(20)10-4-6-15(16,17)7-5-10/h9-10H,4-8H2,1-3H3,(H,18,20)
InChIKeyRAVCUBKCQBONSB-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119878911
(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 125170845
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 118766364
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104396
(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124681675
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505982
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
CID 126780011
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 119793176
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111104399
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119878891
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 146086644
2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244970

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide (CID 126792438) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide is CC(C)(C)c1csc(CNC(=O)C2CCC(F)(F)CC2)n1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is RAVCUBKCQBONSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2OS/c1-14(2,3)11-9-21-12(19-11)8-18-13(20)10-4-6-15(16,17)7-5-10/h9-10H,4-8H2,1-3H3,(H,18,20).
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 316.42 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-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 126792438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).