5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C13H24N4S2 — CID 103359228

IUPAC5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC(C)CN1CCCCC1
InChIInChI=1S/C13H24N4S2/c1-10(9-17-6-4-3-5-7-17)8-15-13-11(18-2)12(14)16-19-13/h10,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyNGXRDYHEESGMNR-UHFFFAOYSA-N
MW300.50 g/mol
LogP2.98
Rot. Bonds6

About 5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359228) has the molecular formula C13H24N4S2 and a molecular weight of 300.50 g/mol. Its IUPAC name is 5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359228
Molecular FormulaC13H24N4S2
Molecular Weight300.50 g/mol
Exact Mass300.14
IUPAC Name5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC(C)CN1CCCCC1
InChIInChI=1S/C13H24N4S2/c1-10(9-17-6-4-3-5-7-17)8-15-13-11(18-2)12(14)16-19-13/h10,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyNGXRDYHEESGMNR-UHFFFAOYSA-N
XLogP2.98
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.50
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylsulfanyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
CID 103364106
4-Methylsulfanyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 113807007
4-Methylsulfanyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 113807009
4-methylsulfanyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 113807191
4-cyclopropylsulfonyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103348993
4-cyclopropylsulfonyl-5-N-[(1-methylpiperidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103348995
5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359184
4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359190
4-methyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359192
5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359270
5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359304
5-N-(1-ethylpiperidin-4-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359344

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359228) is 5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCC(C)CN1CCCCC1.
What is the InChIKey of 5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is NGXRDYHEESGMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S2/c1-10(9-17-6-4-3-5-7-17)8-15-13-11(18-2)12(14)16-19-13/h10,15H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of 5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 300.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).