(3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine

C11H10Cl2N2S — CID 105076919

IUPAC(3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H10Cl2N2S/c1-6-15-10(5-16-6)11(14)7-2-3-8(12)9(13)4-7/h2-5,11H,14H2,1H3
InChIKeyVCWCMSHXLFKZQB-UHFFFAOYSA-N
MW273.19 g/mol
LogP3.81
Rot. Bonds2

About (3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine

(3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 105076919) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID105076919
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name(3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H10Cl2N2S/c1-6-15-10(5-16-6)11(14)7-2-3-8(12)9(13)4-7/h2-5,11H,14H2,1H3
InChIKeyVCWCMSHXLFKZQB-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105141242
(2-methylquinolin-6-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105172277
(2-methyl-1,3-thiazol-4-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155571
(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105099807
(3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105143436
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
(1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81353433
(4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 54980335
(2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine
CID 130979013
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
CID 43629765
(5-bromo-2-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105167418

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 105076919) is (3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(C(N)c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of (3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is VCWCMSHXLFKZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-6-15-10(5-16-6)11(14)7-2-3-8(12)9(13)4-7/h2-5,11H,14H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
(3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 273.19 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 105076919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).