N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide

C13H19F2N3OS — CID 154577009

IUPACN-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide
SMILESNCC(NC(=O)c1scnc1C(F)F)C1CCCCC1
InChIInChI=1S/C13H19F2N3OS/c14-12(15)10-11(20-7-17-10)13(19)18-9(6-16)8-4-2-1-3-5-8/h7-9,12H,1-6,16H2,(H,18,19)
InChIKeyHVRWGXPOHYZSBP-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.72
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide

N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 154577009) has the molecular formula C13H19F2N3OS and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID154577009
Molecular FormulaC13H19F2N3OS
Molecular Weight303.38 g/mol
Exact Mass303.12
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide
SMILESNCC(NC(=O)c1scnc1C(F)F)C1CCCCC1
InChIInChI=1S/C13H19F2N3OS/c14-12(15)10-11(20-7-17-10)13(19)18-9(6-16)8-4-2-1-3-5-8/h7-9,12H,1-6,16H2,(H,18,19)
InChIKeyHVRWGXPOHYZSBP-UHFFFAOYSA-N
XLogP2.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 45823446
(3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine
CID 72877039
4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94029587
N-[(2S)-2-ethylhexyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 94111712
N-(4,4-difluorocyclohexyl)-4-methylthiazole-5-carboxamide
CID 121021892
4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 16727058
N-(2-butan-2-ylcyclohexyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 19937611
2-Methyl-4-trifluoromethyl-thiazole-5-carboxylic acid-trans-2-sec-butylcyclohexylamide
CID 22853537
2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 57792021
2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide
CID 90890905
2-[1-[(2-Cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 123388238
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 123598868

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide (CID 154577009) is N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide is NCC(NC(=O)c1scnc1C(F)F)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HVRWGXPOHYZSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3OS/c14-12(15)10-11(20-7-17-10)13(19)18-9(6-16)8-4-2-1-3-5-8/h7-9,12H,1-6,16H2,(H,18,19).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide?
N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154577009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).