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

C11H11ClN2S — CID 105099807

IUPAC(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)c2ccccc2Cl)cs1
InChIInChI=1S/C11H11ClN2S/c1-7-14-10(6-15-7)11(13)8-4-2-3-5-9(8)12/h2-6,11H,13H2,1H3
InChIKeyGSHCJQSDPOYGSC-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.15
Rot. Bonds2

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

(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 105099807) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID105099807
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)c2ccccc2Cl)cs1
InChIInChI=1S/C11H11ClN2S/c1-7-14-10(6-15-7)11(13)8-4-2-3-5-9(8)12/h2-6,11H,13H2,1H3
InChIKeyGSHCJQSDPOYGSC-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

(3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105076919
[(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105301689
4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 46942640
(R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 107315488
2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107311807
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105181986
4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine
CID 46943091
(5-bromo-2-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105167418
1-(2-chlorophenyl)-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 62644685
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310
(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198024

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 105099807) is (2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(C(N)c2ccccc2Cl)cs1.
What is the InChIKey of (2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is GSHCJQSDPOYGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-7-14-10(6-15-7)11(13)8-4-2-3-5-9(8)12/h2-6,11H,13H2,1H3.
What are the key properties of (2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-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 (2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 105099807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).