5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C10H19N3S2 — CID 103359304

IUPAC5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCCCC(C)C
InChIInChI=1S/C10H19N3S2/c1-7(2)5-4-6-12-10-8(14-3)9(11)13-15-10/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyHRMVSKIRCNDLGR-UHFFFAOYSA-N
MW245.42 g/mol
LogP3.30
Rot. Bonds6

About 5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359304) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is 5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359304
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC Name5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCCCC(C)C
InChIInChI=1S/C10H19N3S2/c1-7(2)5-4-6-12-10-8(14-3)9(11)13-15-10/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyHRMVSKIRCNDLGR-UHFFFAOYSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-N-(4-methylpentyl)-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-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361142
4-methylsulfanyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
CID 103364106
5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103364760
4-methylsulfanyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364944
4-Methylsulfanyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 113807007
4-methylsulfanyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 113807191
4-cyclopropylsulfonyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103348853
4-cyclopropylsulfonyl-5-N-(5-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
CID 103349319
4-cyclopropylsulfonyl-5-N-(5-methylhexyl)-1,2-thiazole-3,5-diamine
CID 103349707
5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349781
5-(3,4-Dimethylpyrrolidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
CID 103359082
5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359228

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359304) is 5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCCCC(C)C.
What is the InChIKey of 5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is HRMVSKIRCNDLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-7(2)5-4-6-12-10-8(14-3)9(11)13-15-10/h7,12H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of 5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 245.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).