4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine

C17H24N2OS — CID 79825345

IUPAC4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCOC)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-3-10-18-15(9-11-20-2)12-17-19-16(13-21-17)14-7-5-4-6-8-14/h4-8,13,15,18H,3,9-12H2,1-2H3
InChIKeyKTIQYCNJADRJAW-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.76
Rot. Bonds9

About 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine

4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine (PubChem CID 79825345) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
PubChem CID79825345
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCOC)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-3-10-18-15(9-11-20-2)12-17-19-16(13-21-17)14-7-5-4-6-8-14/h4-8,13,15,18H,3,9-12H2,1-2H3
InChIKeyKTIQYCNJADRJAW-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

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Related Compounds

4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 105164419
5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819900
3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
CID 81018569
5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105164412
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
N-(2-methoxyethyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817215
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382
triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium
CID 23143294
1-N,1-N,2-N-trimethyl-3-(4-phenyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 79818156

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine (CID 79825345) is 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine is CCCNC(CCOC)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The InChIKey is KTIQYCNJADRJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-10-18-15(9-11-20-2)12-17-19-16(13-21-17)14-7-5-4-6-8-14/h4-8,13,15,18H,3,9-12H2,1-2H3.
What are the key properties of 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-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 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 79825345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).