5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine

C16H23N3S — CID 62768298

IUPAC5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccccc2)c(CN)s1)C(C)C
InChIInChI=1S/C16H23N3S/c1-4-10-19(12(2)3)16-18-15(14(11-17)20-16)13-8-6-5-7-9-13/h5-9,12H,4,10-11,17H2,1-3H3
InChIKeyBUIVBEBMGOKVOG-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.89
Rot. Bonds6

About 5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine

5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine (PubChem CID 62768298) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine
PubChem CID62768298
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccccc2)c(CN)s1)C(C)C
InChIInChI=1S/C16H23N3S/c1-4-10-19(12(2)3)16-18-15(14(11-17)20-16)13-8-6-5-7-9-13/h5-9,12H,4,10-11,17H2,1-3H3
InChIKeyBUIVBEBMGOKVOG-UHFFFAOYSA-N
XLogP3.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine
CID 62765496
5-(aminomethyl)-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766923
[2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol
CID 62780155
[2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81173380
N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine
CID 62764673
5-(aminomethyl)-N-ethyl-N-propan-2-yl-4-propyl-1,3-thiazol-2-amine
CID 62769337
5-(aminomethyl)-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine
CID 62752030
5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
CID 62769279
5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79396248
4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62764942
5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine
CID 79396156
2-bromo-5-ethyl-4-phenyl-1,3-thiazole
CID 68778379

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine (CID 62768298) is 5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(-c2ccccc2)c(CN)s1)C(C)C.
What is the InChIKey of 5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is BUIVBEBMGOKVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-10-19(12(2)3)16-18-15(14(11-17)20-16)13-8-6-5-7-9-13/h5-9,12H,4,10-11,17H2,1-3H3.
What are the key properties of 5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62768298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).