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

C10H13ClN2O2S — CID 65155393

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1nc(CCl)cs1
InChIInChI=1S/C10H13ClN2O2S/c11-5-7-6-16-10(12-7)13-9(14)4-8-2-1-3-15-8/h6,8H,1-5H2,(H,12,13,14)
InChIKeyNWMFZPWSDUKOMX-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.39
Rot. Bonds4

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

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide (PubChem CID 65155393) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide
PubChem CID65155393
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1nc(CCl)cs1
InChIInChI=1S/C10H13ClN2O2S/c11-5-7-6-16-10(12-7)13-9(14)4-8-2-1-3-15-8/h6,8H,1-5H2,(H,12,13,14)
InChIKeyNWMFZPWSDUKOMX-UHFFFAOYSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-3-(oxolan-2-yl)propanamide
CID 65155345
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide
CID 103164434
N-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-2-yl)acetamide
CID 110678002
4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid
CID 80655149
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
N-(6-chloropyrazin-2-yl)-2-(oxolan-2-yl)acetamide
CID 104819962
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide
CID 47461932
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide
CID 103557096
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18567713
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 43140266

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide (CID 65155393) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)Nc1nc(CCl)cs1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide?
The InChIKey is NWMFZPWSDUKOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-5-7-6-16-10(12-7)13-9(14)4-8-2-1-3-15-8/h6,8H,1-5H2,(H,12,13,14).
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide has a molecular weight of 260.75 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65155393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).