2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide

C15H24N2O2S — CID 111460360

IUPAC2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2CCCC(O)C2)s1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)14-17-9-12(20-14)13(19)16-8-10-5-4-6-11(18)7-10/h9-11,18H,4-8H2,1-3H3,(H,16,19)
InChIKeyYROSNYBYTUIMNV-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.72
Rot. Bonds3

About 2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 111460360) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID111460360
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2CCCC(O)C2)s1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)14-17-9-12(20-14)13(19)16-8-10-5-4-6-11(18)7-10/h9-11,18H,4-8H2,1-3H3,(H,16,19)
InChIKeyYROSNYBYTUIMNV-UHFFFAOYSA-N
XLogP2.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 111331213
2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 126770959
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
6-(dimethylamino)-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103690739
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 114267579
2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 114148420
5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 111459726
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide (CID 111460360) is 2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCC2CCCC(O)C2)s1.
What is the InChIKey of 2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YROSNYBYTUIMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,3)14-17-9-12(20-14)13(19)16-8-10-5-4-6-11(18)7-10/h9-11,18H,4-8H2,1-3H3,(H,16,19).
What are the key properties of 2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111460360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).