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

C16H26N2O2S — CID 111446010

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCC(C)(C)c1nc(CC(=O)NCC2(O)CCCCC2)cs1
InChIInChI=1S/C16H26N2O2S/c1-15(2,3)14-18-12(10-21-14)9-13(19)17-11-16(20)7-5-4-6-8-16/h10,20H,4-9,11H2,1-3H3,(H,17,19)
InChIKeyCAVXLSXHMZRQFL-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.79
Rot. Bonds4

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

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 111446010) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID111446010
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCC(C)(C)c1nc(CC(=O)NCC2(O)CCCCC2)cs1
InChIInChI=1S/C16H26N2O2S/c1-15(2,3)14-18-12(10-21-14)9-13(19)17-11-16(20)7-5-4-6-8-16/h10,20H,4-9,11H2,1-3H3,(H,17,19)
InChIKeyCAVXLSXHMZRQFL-UHFFFAOYSA-N
XLogP2.79
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445318
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426824
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111539509
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119177607
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111445951
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111446165
2-[1-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119218180
5-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 119235347
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104396
2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 103966699
N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 111538994
1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115758448

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 111446010) is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide is CC(C)(C)c1nc(CC(=O)NCC2(O)CCCCC2)cs1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is CAVXLSXHMZRQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-15(2,3)14-18-12(10-21-14)9-13(19)17-11-16(20)7-5-4-6-8-16/h10,20H,4-9,11H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 310.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 111446010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).