N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide

C10H13ClN2OS — CID 103164434

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)Nc1nc(CCl)cs1
InChIInChI=1S/C10H13ClN2OS/c11-5-8-6-15-10(12-8)13-9(14)4-7-2-1-3-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyRBBIQBFPJDTJEZ-UHFFFAOYSA-N
MW244.75 g/mol
LogP3.01
Rot. Bonds4

About N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide (PubChem CID 103164434) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide
PubChem CID103164434
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)Nc1nc(CCl)cs1
InChIInChI=1S/C10H13ClN2OS/c11-5-8-6-15-10(12-8)13-9(14)4-7-2-1-3-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyRBBIQBFPJDTJEZ-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 53.01
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-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide
CID 65155393
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
CID 115681438
N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 65155345
2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 71780092
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide
CID 103557096
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 43140266
N-[4-(chloromethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 108745940
2-cyclopentyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]acetamide
CID 77047021
2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 108745925

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide (CID 103164434) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide is O=C(CC1CCC1)Nc1nc(CCl)cs1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide?
The InChIKey is RBBIQBFPJDTJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-5-8-6-15-10(12-8)13-9(14)4-7-2-1-3-7/h6-7H,1-5H2,(H,12,13,14).
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide has a molecular weight of 244.75 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide is sourced from PubChem (CID 103164434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).