2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide

C11H17N3O3S — CID 79290954

IUPAC2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N(C)CC(C)(C)O)cs1
InChIInChI=1S/C11H17N3O3S/c1-7(15)12-10-13-8(5-18-10)9(16)14(4)6-11(2,3)17/h5,17H,6H2,1-4H3,(H,12,13,15)
InChIKeyJBFUIMVJMAQEEC-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.94
Rot. Bonds4

About 2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide

2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 79290954) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID79290954
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N(C)CC(C)(C)O)cs1
InChIInChI=1S/C11H17N3O3S/c1-7(15)12-10-13-8(5-18-10)9(16)14(4)6-11(2,3)17/h5,17H,6H2,1-4H3,(H,12,13,15)
InChIKeyJBFUIMVJMAQEEC-UHFFFAOYSA-N
XLogP0.94
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 64512775
2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79378500
2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119659632
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 43072331
2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid
CID 107434591
2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543370
2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 103712589
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111543015
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
2-acetamido-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 115772815
ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate
CID 61012652

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 79290954) is 2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)N(C)CC(C)(C)O)cs1.
What is the InChIKey of 2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is JBFUIMVJMAQEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7(15)12-10-13-8(5-18-10)9(16)14(4)6-11(2,3)17/h5,17H,6H2,1-4H3,(H,12,13,15).
What are the key properties of 2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 79290954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).