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

C13H10ClF3N2OS — CID 2081083

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CCl)cs1
InChIInChI=1S/C13H10ClF3N2OS/c1-8(20)19(12-18-10(6-14)7-21-12)11-4-2-3-9(5-11)13(15,16)17/h2-5,7H,6H2,1H3
InChIKeyUOVPPNNRTFTOMS-UHFFFAOYSA-N
MW334.75 g/mol
LogP4.59
Rot. Bonds3

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

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2081083) has the molecular formula C13H10ClF3N2OS and a molecular weight of 334.75 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2081083
Molecular FormulaC13H10ClF3N2OS
Molecular Weight334.75 g/mol
Exact Mass334.02
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CCl)cs1
InChIInChI=1S/C13H10ClF3N2OS/c1-8(20)19(12-18-10(6-14)7-21-12)11-4-2-3-9(5-11)13(15,16)17/h2-5,7H,6H2,1H3
InChIKeyUOVPPNNRTFTOMS-UHFFFAOYSA-N
XLogP4.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2081083) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CCl)cs1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UOVPPNNRTFTOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2OS/c1-8(20)19(12-18-10(6-14)7-21-12)11-4-2-3-9(5-11)13(15,16)17/h2-5,7H,6H2,1H3.
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 334.75 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 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]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2081083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).