5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine

C13H20N4S2 — CID 103349113

IUPAC5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCCCC(C)Nc1snc(N)c1-c1nc(C)cs1
InChIInChI=1S/C13H20N4S2/c1-4-5-6-8(2)15-13-10(11(14)17-19-13)12-16-9(3)7-18-12/h7-8,15H,4-6H2,1-3H3,(H2,14,17)
InChIKeyNJKCPYCIMZAVDQ-UHFFFAOYSA-N
MW296.47 g/mol
LogP4.15
Rot. Bonds6

About 5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine

5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103349113) has the molecular formula C13H20N4S2 and a molecular weight of 296.47 g/mol. Its IUPAC name is 5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103349113
Molecular FormulaC13H20N4S2
Molecular Weight296.47 g/mol
Exact Mass296.11
IUPAC Name5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCCCC(C)Nc1snc(N)c1-c1nc(C)cs1
InChIInChI=1S/C13H20N4S2/c1-4-5-6-8(2)15-13-10(11(14)17-19-13)12-16-9(3)7-18-12/h7-8,15H,4-6H2,1-3H3,(H2,14,17)
InChIKeyNJKCPYCIMZAVDQ-UHFFFAOYSA-N
XLogP4.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-hexan-3-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349107
5-N-(1-cyclopropylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349327
5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103348980
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1-phenylethyl)-1,2-thiazole-3,5-diamine
CID 103349504
1-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-2-ol
CID 103349589
5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349814
3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol
CID 103349556
4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106218870
4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103349109
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349519
5-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]pentan-1-ol
CID 107324532
5-N-(4-methoxybutan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378757

Frequently Asked Questions

What is the IUPAC name of 5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (CID 103349113) is 5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is CCCCC(C)Nc1snc(N)c1-c1nc(C)cs1.
What is the InChIKey of 5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is NJKCPYCIMZAVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S2/c1-4-5-6-8(2)15-13-10(11(14)17-19-13)12-16-9(3)7-18-12/h7-8,15H,4-6H2,1-3H3,(H2,14,17).
What are the key properties of 5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 296.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).