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

C14H22N2O2S — CID 111445318

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESCC(C)(C)c1nc(CC(=O)NCC2(O)CCC2)cs1
InChIInChI=1S/C14H22N2O2S/c1-13(2,3)12-16-10(8-19-12)7-11(17)15-9-14(18)5-4-6-14/h8,18H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyNJNDCXXEFCWXEY-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.01
Rot. Bonds4

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

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide (PubChem CID 111445318) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide
PubChem CID111445318
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESCC(C)(C)c1nc(CC(=O)NCC2(O)CCC2)cs1
InChIInChI=1S/C14H22N2O2S/c1-13(2,3)12-16-10(8-19-12)7-11(17)15-9-14(18)5-4-6-14/h8,18H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyNJNDCXXEFCWXEY-UHFFFAOYSA-N
XLogP2.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.01
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-hydroxycyclohexyl)methyl]acetamide
CID 111446010
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
2-[1-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119218180
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119177607
5-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 119235347
N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119499665
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
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119525132
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701706
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
CID 119559461

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide (CID 111445318) is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide is CC(C)(C)c1nc(CC(=O)NCC2(O)CCC2)cs1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The InChIKey is NJNDCXXEFCWXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-13(2,3)12-16-10(8-19-12)7-11(17)15-9-14(18)5-4-6-14/h8,18H,4-7,9H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide?
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.01, 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-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 111445318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).