2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine

C8H15N3S2 — CID 102768509

IUPAC2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine
SMILESCSCC(C)CNc1ncc(N)s1
InChIInChI=1S/C8H15N3S2/c1-6(5-12-2)3-10-8-11-4-7(9)13-8/h4,6H,3,5,9H2,1-2H3,(H,10,11)
InChIKeyAIJDGSXBFMUWMS-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.14
Rot. Bonds5

About 2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine

2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768509) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine
PubChem CID102768509
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC Name2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine
SMILESCSCC(C)CNc1ncc(N)s1
InChIInChI=1S/C8H15N3S2/c1-6(5-12-2)3-10-8-11-4-7(9)13-8/h4,6H,3,5,9H2,1-2H3,(H,10,11)
InChIKeyAIJDGSXBFMUWMS-UHFFFAOYSA-N
XLogP2.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-amino-1,3-thiazol-2-yl)amino]propan-2-ol
CID 102767603
5-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,5-diamine
CID 63982053
2-[(5-amino-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide
CID 102767648
2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102769066
5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine
CID 79556217
2-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102767605
4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839408
2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768492
3-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
CID 65273013
6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142263
2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine
CID 102769013
2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine
CID 102769037

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine (CID 102768509) is 2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine is CSCC(C)CNc1ncc(N)s1.
What is the InChIKey of 2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine?
The InChIKey is AIJDGSXBFMUWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-6(5-12-2)3-10-8-11-4-7(9)13-8/h4,6H,3,5,9H2,1-2H3,(H,10,11).
What are the key properties of 2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine?
2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine has a molecular weight of 217.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).