(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine

C11H11ClN2S — CID 106818042

IUPAC(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine
SMILESCc1ccc(C(N)c2nccs2)cc1Cl
InChIInChI=1S/C11H11ClN2S/c1-7-2-3-8(6-9(7)12)10(13)11-14-4-5-15-11/h2-6,10H,13H2,1H3
InChIKeyVNVYVMAJCCCANJ-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.15
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine

(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine (PubChem CID 106818042) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine
PubChem CID106818042
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine
SMILESCc1ccc(C(N)c2nccs2)cc1Cl
InChIInChI=1S/C11H11ClN2S/c1-7-2-3-8(6-9(7)12)10(13)11-14-4-5-15-11/h2-6,10H,13H2,1H3
InChIKeyVNVYVMAJCCCANJ-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine
CID 107560292
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860386
3-[amino(1,3-thiazol-2-yl)methyl]phenol
CID 115024716
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 63195529
quinolin-6-yl(1,3-thiazol-2-yl)methanamine
CID 63970380
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 107560529
(7-chloro-1,3-benzodioxol-5-yl)-(1,3-thiazol-2-yl)methanamine
CID 61332839
(1S)-1-(3,4-dichlorophenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 96563349
(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 63194534
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1,3-thiazol-2-yl)methanamine
CID 61332442

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine (CID 106818042) is (3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine is Cc1ccc(C(N)c2nccs2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine?
The InChIKey is VNVYVMAJCCCANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-7-2-3-8(6-9(7)12)10(13)11-14-4-5-15-11/h2-6,10H,13H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine?
(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine has a molecular weight of 238.74 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 106818042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).