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

C10H15ClN2OS — CID 146085974

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
SMILESCC(C)(C)c1nc(CNC(=O)CCl)cs1
InChIInChI=1S/C10H15ClN2OS/c1-10(2,3)9-13-7(6-15-9)5-12-8(14)4-11/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyWJVAYINOZRBPGH-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.30
Rot. Bonds3

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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide (PubChem CID 146085974) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
PubChem CID146085974
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
SMILESCC(C)(C)c1nc(CNC(=O)CCl)cs1
InChIInChI=1S/C10H15ClN2OS/c1-10(2,3)9-13-7(6-15-9)5-12-8(14)4-11/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyWJVAYINOZRBPGH-UHFFFAOYSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide
CID 115586443
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
CID 47285247
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119177607
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110922256
methyl 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-methylpropanoate
CID 115609824
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzoic acid
CID 120509449
N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 115592184
5-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 119235347
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 113362922
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426824
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122066295

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide (CID 146085974) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide is CC(C)(C)c1nc(CNC(=O)CCl)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide?
The InChIKey is WJVAYINOZRBPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-10(2,3)9-13-7(6-15-9)5-12-8(14)4-11/h6H,4-5H2,1-3H3,(H,12,14).
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide has a molecular weight of 246.76 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide is sourced from PubChem (CID 146085974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).