N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine

C14H18N2S — CID 79016244

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2S/c1-11(2)15-9-8-14-16-13(10-17-14)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyUKGJUJURUHGGOY-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine (PubChem CID 79016244) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
PubChem CID79016244
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2S/c1-11(2)15-9-8-14-16-13(10-17-14)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyUKGJUJURUHGGOY-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 82103288
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82103269
3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81022146
N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 116968382
N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816985
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 82102962
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621
N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816774
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine (CID 79016244) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine is CC(C)NCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is UKGJUJURUHGGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11(2)15-9-8-14-16-13(10-17-14)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3.
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 79016244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).