N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide

C13H20N2O2S — CID 126793620

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)N[C@H]2CCCC[C@@H]2O)s1
InChIInChI=1S/C13H20N2O2S/c1-2-5-12-14-8-11(18-12)13(17)15-9-6-3-4-7-10(9)16/h8-10,16H,2-7H2,1H3,(H,15,17)/t9-,10-/m0/s1
InChIKeyUXLHURZGQZWCCH-UWVGGRQHSA-N
MW268.38 g/mol
LogP2.13
Rot. Bonds4

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 126793620) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID126793620
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)N[C@H]2CCCC[C@@H]2O)s1
InChIInChI=1S/C13H20N2O2S/c1-2-5-12-14-8-11(18-12)13(17)15-9-6-3-4-7-10(9)16/h8-10,16H,2-7H2,1H3,(H,15,17)/t9-,10-/m0/s1
InChIKeyUXLHURZGQZWCCH-UWVGGRQHSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 104957169
N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide
CID 119429304
N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119479154
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide
CID 119459660
N-(2-hydroxycyclohexyl)thiadiazole-5-carboxamide
CID 62358685
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide
CID 104957425
N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 120650729
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157
N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119576047
N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119499749
(2S)-3-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119359365
5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 104957341

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide (CID 126793620) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide is CCCc1ncc(C(=O)N[C@H]2CCCC[C@@H]2O)s1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is UXLHURZGQZWCCH-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-5-12-14-8-11(18-12)13(17)15-9-6-3-4-7-10(9)16/h8-10,16H,2-7H2,1H3,(H,15,17)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126793620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).