5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine

C16H24N4S — CID 103380430

IUPAC5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine
SMILESCCCN(CCN(C)C)c1snc(N)c1-c1ccccc1
InChIInChI=1S/C16H24N4S/c1-4-10-20(12-11-19(2)3)16-14(15(17)18-21-16)13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H2,17,18)
InChIKeyZJNDZGSXFKNUCN-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.17
Rot. Bonds7

About 5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine

5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine (PubChem CID 103380430) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine
PubChem CID103380430
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine
SMILESCCCN(CCN(C)C)c1snc(N)c1-c1ccccc1
InChIInChI=1S/C16H24N4S/c1-4-10-20(12-11-19(2)3)16-14(15(17)18-21-16)13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H2,17,18)
InChIKeyZJNDZGSXFKNUCN-UHFFFAOYSA-N
XLogP3.17
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine
CID 103381922
4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103379725
5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103380461
5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103381999
5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103380451
5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine
CID 107403288
5-N,5-N-diethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103362105
4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine
CID 103381183
5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103361733
5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382325
5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360705
5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103381435

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine (CID 103380430) is 5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine is CCCN(CCN(C)C)c1snc(N)c1-c1ccccc1.
What is the InChIKey of 5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine?
The InChIKey is ZJNDZGSXFKNUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-10-20(12-11-19(2)3)16-14(15(17)18-21-16)13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H2,17,18).
What are the key properties of 5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine?
5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103380430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).