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

C9H15N3S2 — CID 103365642

IUPAC4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC1CCSCC1
InChIInChI=1S/C9H15N3S2/c1-6-8(10)12-14-9(6)11-7-2-4-13-5-3-7/h7,11H,2-5H2,1H3,(H2,10,12)
InChIKeyYFHFKOYMLVOKHI-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.34
Rot. Bonds2

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

4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103365642) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
PubChem CID103365642
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC1CCSCC1
InChIInChI=1S/C9H15N3S2/c1-6-8(10)12-14-9(6)11-7-2-4-13-5-3-7/h7,11H,2-5H2,1H3,(H2,10,12)
InChIKeyYFHFKOYMLVOKHI-UHFFFAOYSA-N
XLogP2.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine (CID 103365642) is 4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NC1CCSCC1.
What is the InChIKey of 4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is YFHFKOYMLVOKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-6-8(10)12-14-9(6)11-7-2-4-13-5-3-7/h7,11H,2-5H2,1H3,(H2,10,12).
What are the key properties of 4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine?
4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 229.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).