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

C17H24N2OS — CID 82102962

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-14(2)20-12-6-10-18-11-9-17-19-16(13-21-17)15-7-4-3-5-8-15/h3-5,7-8,13-14,18H,6,9-12H2,1-2H3
InChIKeyCBACGLIBHYCJOS-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.76
Rot. Bonds9

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

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 82102962) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine
PubChem CID82102962
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-14(2)20-12-6-10-18-11-9-17-19-16(13-21-17)15-7-4-3-5-8-15/h3-5,7-8,13-14,18H,6,9-12H2,1-2H3
InChIKeyCBACGLIBHYCJOS-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816985
N-(2-methoxyethyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817215
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
N-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]-3-methoxypropan-1-amine
CID 82103057
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82102961
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
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]acetamide
CID 1497759
N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine
CID 82103460
3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
CID 81018569

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine (CID 82102962) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is CBACGLIBHYCJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-14(2)20-12-6-10-18-11-9-17-19-16(13-21-17)15-7-4-3-5-8-15/h3-5,7-8,13-14,18H,6,9-12H2,1-2H3.
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 82102962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).