1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C11H10ClFN2S — CID 42656310

IUPAC1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1ccc(CNCc2nccs2)c(Cl)c1
InChIInChI=1S/C11H10ClFN2S/c12-10-5-9(13)2-1-8(10)6-14-7-11-15-3-4-16-11/h1-5,14H,6-7H2
InChIKeyJGWJEKKUAWAYBL-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.23
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 42656310) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID42656310
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1ccc(CNCc2nccs2)c(Cl)c1
InChIInChI=1S/C11H10ClFN2S/c12-10-5-9(13)2-1-8(10)6-14-7-11-15-3-4-16-11/h1-5,14H,6-7H2
InChIKeyJGWJEKKUAWAYBL-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiourea, N-(2-(2-chloro-6-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001094
1-(2-(2-Chlorophenyl)-1-(thiazol-2-yl)ethyl)piperazine
CID 44414810
Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
1-(3-Chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824023
2-(4-Chlorophenyl)thiazole
CID 13215562
2-(2-Chlorophenyl)thiazole
CID 20513287
2,6-Dichlorophenyl thiazole
CID 57037672
1-(2-chloro-6-fluorophenyl)-N,N'-bis(1,3-thiazol-2-yl)methanediamine
CID 339221
N-[(2,4-difluorophenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
CID 71845093
(1S)-1-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 93671968
2-(3-Chloro-4-fluorophenyl)-1,3-thiazole
CID 17942007
2-(2,4-Dichloro-6-fluorophenyl)-1,3-thiazole
CID 67622686

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 42656310) is 1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is Fc1ccc(CNCc2nccs2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is JGWJEKKUAWAYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c12-10-5-9(13)2-1-8(10)6-14-7-11-15-3-4-16-11/h1-5,14H,6-7H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 256.73 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 42656310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).