N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine

C14H18N2S — CID 155154777

IUPACN,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
SMILESCc1ncsc1-c1ccc(CCN(C)C)cc1
InChIInChI=1S/C14H18N2S/c1-11-14(17-10-15-11)13-6-4-12(5-7-13)8-9-16(2)3/h4-7,10H,8-9H2,1-3H3
InChIKeyQJZQFCHIAUOBDI-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.22
Rot. Bonds4

About N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine

N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine (PubChem CID 155154777) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
PubChem CID155154777
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
SMILESCc1ncsc1-c1ccc(CCN(C)C)cc1
InChIInChI=1S/C14H18N2S/c1-11-14(17-10-15-11)13-6-4-12(5-7-13)8-9-16(2)3/h4-7,10H,8-9H2,1-3H3
InChIKeyQJZQFCHIAUOBDI-UHFFFAOYSA-N
XLogP3.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine (CID 155154777) is N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine is Cc1ncsc1-c1ccc(CCN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
The InChIKey is QJZQFCHIAUOBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-14(17-10-15-11)13-6-4-12(5-7-13)8-9-16(2)3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine?
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 155154777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).