2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C9H13ClN2OS — CID 166403785

IUPAC2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(C)c1nc(CNC(=O)CCl)cs1
InChIInChI=1S/C9H13ClN2OS/c1-6(2)9-12-7(5-14-9)4-11-8(13)3-10/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyJIRXZGILMFYJAH-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.12
Rot. Bonds4

About 2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide

2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 166403785) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID166403785
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(C)c1nc(CNC(=O)CCl)cs1
InChIInChI=1S/C9H13ClN2OS/c1-6(2)9-12-7(5-14-9)4-11-8(13)3-10/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyJIRXZGILMFYJAH-UHFFFAOYSA-N
XLogP2.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
CID 56558069
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
CID 146085974
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
CID 145463138
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115919637
butanedioic acid;bis(N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine)
CID 11612288
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 166403785) is 2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide is CC(C)c1nc(CNC(=O)CCl)cs1.
What is the InChIKey of 2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is JIRXZGILMFYJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-6(2)9-12-7(5-14-9)4-11-8(13)3-10/h5-6H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 232.74 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 166403785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).