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

C11H7ClF2N2OS — CID 43140302

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
SMILESO=C(Nc1nc(CCl)cs1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H7ClF2N2OS/c12-4-7-5-18-11(15-7)16-10(17)6-1-2-8(13)9(14)3-6/h1-3,5H,4H2,(H,15,16,17)
InChIKeyLTKSMFDPZNFRTL-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.41
Rot. Bonds3

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

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide (PubChem CID 43140302) has the molecular formula C11H7ClF2N2OS and a molecular weight of 288.71 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
PubChem CID43140302
Molecular FormulaC11H7ClF2N2OS
Molecular Weight288.71 g/mol
Exact Mass287.99
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
SMILESO=C(Nc1nc(CCl)cs1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H7ClF2N2OS/c12-4-7-5-18-11(15-7)16-10(17)6-1-2-8(13)9(14)3-6/h1-3,5H,4H2,(H,15,16,17)
InChIKeyLTKSMFDPZNFRTL-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.41
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]-3-fluoro-4-methylbenzamide
CID 43322575
3-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 63195472
2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858327
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-iodothiophene-3-carboxamide
CID 79692806
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzamide
CID 113400039
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 28861611
2-[2-[(3-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 63194252
5-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 43322612
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
4-bromo-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 43630014
4-chloro-N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41230136

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide (CID 43140302) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide is O=C(Nc1nc(CCl)cs1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide?
The InChIKey is LTKSMFDPZNFRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2OS/c12-4-7-5-18-11(15-7)16-10(17)6-1-2-8(13)9(14)3-6/h1-3,5H,4H2,(H,15,16,17).
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide has a molecular weight of 288.71 g/mol, XLogP of 3.41, 3 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]-3,4-difluorobenzamide is sourced from PubChem (CID 43140302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).