4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide

C18H29FN2OS — CID 143239256

IUPAC4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(CF)c(C(=O)NC2CCCCC2C(C)CC(C)C)s1
InChIInChI=1S/C18H29FN2OS/c1-11(2)9-12(3)14-7-5-6-8-15(14)21-18(22)17-16(10-19)20-13(4)23-17/h11-12,14-15H,5-10H2,1-4H3,(H,21,22)
InChIKeyZTAOGUKYVZDQEC-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.89
Rot. Bonds6

About 4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide

4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide (PubChem CID 143239256) has the molecular formula C18H29FN2OS and a molecular weight of 340.51 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
PubChem CID143239256
Molecular FormulaC18H29FN2OS
Molecular Weight340.51 g/mol
Exact Mass340.20
IUPAC Name4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(CF)c(C(=O)NC2CCCCC2C(C)CC(C)C)s1
InChIInChI=1S/C18H29FN2OS/c1-11(2)9-12(3)14-7-5-6-8-15(14)21-18(22)17-16(10-19)20-13(4)23-17/h11-12,14-15H,5-10H2,1-4H3,(H,21,22)
InChIKeyZTAOGUKYVZDQEC-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3372949
2-ethyl-4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 49378352
2-cyclopentyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 97194041
5-(2,4-Dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201372
(8aR,11aS)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201553
N-cycloheptyl-2,4-dimethylthiazole-5-carboxamide
CID 9123260
(1S,11R)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199273
(1S,11R)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201217
5-[1-(2,4-Dimethyl-1,3-thiazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201697
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 53541259
N-[(2S)-2-ethylhexyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 94111712
N-[(2S)-3,3-dimethylbutan-2-yl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 97316377

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide (CID 143239256) is 4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide is Cc1nc(CF)c(C(=O)NC2CCCCC2C(C)CC(C)C)s1.
What is the InChIKey of 4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZTAOGUKYVZDQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2OS/c1-11(2)9-12(3)14-7-5-6-8-15(14)21-18(22)17-16(10-19)20-13(4)23-17/h11-12,14-15H,5-10H2,1-4H3,(H,21,22).
What are the key properties of 4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?
4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide has a molecular weight of 340.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143239256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).