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

C12H10ClFN2OS — CID 43322575

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(CCl)cs2)cc1F
InChIInChI=1S/C12H10ClFN2OS/c1-7-2-3-8(4-10(7)14)11(17)16-12-15-9(5-13)6-18-12/h2-4,6H,5H2,1H3,(H,15,16,17)
InChIKeyRGYMTCAJQSJXDJ-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.58
Rot. Bonds3

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

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide (PubChem CID 43322575) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
PubChem CID43322575
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(CCl)cs2)cc1F
InChIInChI=1S/C12H10ClFN2OS/c1-7-2-3-8(4-10(7)14)11(17)16-12-15-9(5-13)6-18-12/h2-4,6H,5H2,1H3,(H,15,16,17)
InChIKeyRGYMTCAJQSJXDJ-UHFFFAOYSA-N
XLogP3.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.58
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]-3,4-difluorobenzamide
CID 43140302
3-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 63195472
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzamide
CID 113400039
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 39036652
3-fluoro-N-[2-[[2-[2-[(2-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]ethyl]-4-methylbenzamide
CID 55706715
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 64558469
2-[2-[(3-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 63194252
4-bromo-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 43630014
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-iodothiophene-3-carboxamide
CID 79692806
3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide
CID 158062349
N-[4-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228676
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide (CID 43322575) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc(CCl)cs2)cc1F.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide?
The InChIKey is RGYMTCAJQSJXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c1-7-2-3-8(4-10(7)14)11(17)16-12-15-9(5-13)6-18-12/h2-4,6H,5H2,1H3,(H,15,16,17).
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide has a molecular weight of 284.74 g/mol, XLogP of 3.58, 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-fluoro-4-methylbenzamide is sourced from PubChem (CID 43322575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).