1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine

C12H13ClN2S — CID 47014021

IUPAC1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCN(Cc1ccc(Cl)cc1)Cc1cscn1
InChIInChI=1S/C12H13ClN2S/c1-15(7-12-8-16-9-14-12)6-10-2-4-11(13)5-3-10/h2-5,8-9H,6-7H2,1H3
InChIKeyIJVNEAJEGMWTIX-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.43
Rot. Bonds4

About 1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine

1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 47014021) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID47014021
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCN(Cc1ccc(Cl)cc1)Cc1cscn1
InChIInChI=1S/C12H13ClN2S/c1-15(7-12-8-16-9-14-12)6-10-2-4-11(13)5-3-10/h2-5,8-9H,6-7H2,1H3
InChIKeyIJVNEAJEGMWTIX-UHFFFAOYSA-N
XLogP3.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
[3-chloro-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]methanamine
CID 102662887
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 55013686
N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347214
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 54942854
1-(4-bromo-3-nitrophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 113335287
N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 55075130
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 47076190
1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 171389299
5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine
CID 55046282
1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 91833133

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 47014021) is 1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine is CN(Cc1ccc(Cl)cc1)Cc1cscn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is IJVNEAJEGMWTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-15(7-12-8-16-9-14-12)6-10-2-4-11(13)5-3-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 252.77 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 47014021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).