[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine

C11H11ClN2S — CID 61280552

IUPAC[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C11H11ClN2S/c12-9-3-1-2-8(4-9)5-11-14-7-10(6-13)15-11/h1-4,7H,5-6,13H2
InChIKeyLMXUFKWCLRDDHX-UHFFFAOYSA-N
MW238.74 g/mol
LogP2.85
Rot. Bonds3

About [2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine

[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 61280552) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID61280552
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C11H11ClN2S/c12-9-3-1-2-8(4-9)5-11-14-7-10(6-13)15-11/h1-4,7H,5-6,13H2
InChIKeyLMXUFKWCLRDDHX-UHFFFAOYSA-N
XLogP2.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091371
N-[[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422590
2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63386452
5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82422602
[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054774
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82806898
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
[5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine
CID 23130572
5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
CID 66629043
N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 23855488
5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole
CID 82422430

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine (CID 61280552) is [2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine is NCc1cnc(Cc2cccc(Cl)c2)s1.
What is the InChIKey of [2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is LMXUFKWCLRDDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c12-9-3-1-2-8(4-9)5-11-14-7-10(6-13)15-11/h1-4,7H,5-6,13H2.
What are the key properties of [2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine?
[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 238.74 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 61280552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).