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

C12H18N4S3 — CID 103349814

IUPAC5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCSC(C)CCNc1snc(N)c1-c1nc(C)cs1
InChIInChI=1S/C12H18N4S3/c1-7-6-18-12(15-7)9-10(13)16-19-11(9)14-5-4-8(2)17-3/h6,8,14H,4-5H2,1-3H3,(H2,13,16)
InChIKeyAERDBHYHDPEXHQ-UHFFFAOYSA-N
MW314.51 g/mol
LogP3.71
Rot. Bonds6

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

5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103349814) has the molecular formula C12H18N4S3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103349814
Molecular FormulaC12H18N4S3
Molecular Weight314.51 g/mol
Exact Mass314.07
IUPAC Name5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCSC(C)CCNc1snc(N)c1-c1nc(C)cs1
InChIInChI=1S/C12H18N4S3/c1-7-6-18-12(15-7)9-10(13)16-19-11(9)14-5-4-8(2)17-3/h6,8,14H,4-5H2,1-3H3,(H2,13,16)
InChIKeyAERDBHYHDPEXHQ-UHFFFAOYSA-N
XLogP3.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol
CID 103349556
1-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-2-ol
CID 103349589
5-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]pentan-1-ol
CID 107324532
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2-prop-2-ynylsulfanylethyl)-1,2-thiazole-3,5-diamine
CID 106434248
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349519
5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349113
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1-phenylethyl)-1,2-thiazole-3,5-diamine
CID 103349504
5-N-hexan-3-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349107
5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349513
5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 106107000
5-N-(1-cyclopropylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349327
4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine
CID 103384397

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (CID 103349814) is 5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is CSC(C)CCNc1snc(N)c1-c1nc(C)cs1.
What is the InChIKey of 5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is AERDBHYHDPEXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S3/c1-7-6-18-12(15-7)9-10(13)16-19-11(9)14-5-4-8(2)17-3/h6,8,14H,4-5H2,1-3H3,(H2,13,16).
What are the key properties of 5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 314.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).