N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine

C12H14N2S — CID 173380030

IUPACN,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
SMILESCN(C)Cc1cccc(-c2nccs2)c1
InChIInChI=1S/C12H14N2S/c1-14(2)9-10-4-3-5-11(8-10)12-13-6-7-15-12/h3-8H,9H2,1-2H3
InChIKeyKJMWSKYVPWXJBB-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.87
Rot. Bonds3

About N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine

N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine (PubChem CID 173380030) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
PubChem CID173380030
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC NameN,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
SMILESCN(C)Cc1cccc(-c2nccs2)c1
InChIInChI=1S/C12H14N2S/c1-14(2)9-10-4-3-5-11(8-10)12-13-6-7-15-12/h3-8H,9H2,1-2H3
InChIKeyKJMWSKYVPWXJBB-UHFFFAOYSA-N
XLogP2.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-prop-2-enylphenyl)-1,3-thiazole
CID 141281428
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
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N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]ethanimidamide
CID 123946042
N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide
CID 123278346
N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine
CID 177382829
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039
2-(3-chlorophenyl)-1,3-thiazole
CID 23135786
2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701
N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide
CID 142902094
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione
CID 50878146
4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 144669416

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine (CID 173380030) is N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine is CN(C)Cc1cccc(-c2nccs2)c1.
What is the InChIKey of N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine?
The InChIKey is KJMWSKYVPWXJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-14(2)9-10-4-3-5-11(8-10)12-13-6-7-15-12/h3-8H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine?
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine has a molecular weight of 218.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 173380030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).