N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine

C16H22N2S — CID 79817421

IUPACN,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCNC(C)CC(C)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H22N2S/c1-12(9-13(2)17-3)10-16-18-15(11-19-16)14-7-5-4-6-8-14/h4-8,11-13,17H,9-10H2,1-3H3
InChIKeyPZQVIYIJUNYUOP-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.99
Rot. Bonds6

About N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine

N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 79817421) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
PubChem CID79817421
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCNC(C)CC(C)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H22N2S/c1-12(9-13(2)17-3)10-16-18-15(11-19-16)14-7-5-4-6-8-14/h4-8,11-13,17H,9-10H2,1-3H3
InChIKeyPZQVIYIJUNYUOP-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
3-methyl-N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012215
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
CID 81018569
1-N,1-N,2-N-trimethyl-3-(4-phenyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 79818156
5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105164412
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine
CID 79825369
N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006723
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine (CID 79817421) is N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine is CNC(C)CC(C)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is PZQVIYIJUNYUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(9-13(2)17-3)10-16-18-15(11-19-16)14-7-5-4-6-8-14/h4-8,11-13,17H,9-10H2,1-3H3.
What are the key properties of N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 274.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 79817421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).