[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine

C11H11ClN2S — CID 4593237

IUPAC[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1sc(CN)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2S/c1-7-11(14-10(6-13)15-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3
InChIKeyYHMUQPIOJRKBPT-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.23
Rot. Bonds2

About [4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine

[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 4593237) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID4593237
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1sc(CN)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2S/c1-7-11(14-10(6-13)15-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3
InChIKeyYHMUQPIOJRKBPT-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-(4-chlorophenyl)-5-methylthiazole
CID 667574
4-(2,4-Dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 5018022
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]ethanethioamide
CID 2350672
8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine
CID 12878267
8-chloro-6-(2-fluorophenyl)-2-methyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine
CID 12878269
8-chloro-6-(2-chlorophenyl)-2-methyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine
CID 12878271
4-(4-Chlorophenyl)-2-methyl-1,3-thiazole
CID 698890
4-(4-Chlorophenyl)-5-propyl-1,3-thiazol-2-amine
CID 882319
2-(4-Chlorophenyl)-5-({[(ethylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-1,3-thiazole
CID 9635726
2-(4-Chlorophenyl)-5-({[(isopropylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-1,3-thiazole
CID 9675749
2-(4-Chlorophenyl)-5-isopropenyl-4-methyl-thiazole
CID 23723059
Thiazole, 2-(p-chlorophenyl)-4-methyl-
CID 551909

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine (CID 4593237) is [4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine is Cc1sc(CN)nc1-c1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is YHMUQPIOJRKBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-7-11(14-10(6-13)15-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3.
What are the key properties of [4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine?
[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 238.74 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 4593237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).