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

C10H19N3S — CID 103359310

IUPAC4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCCC(C)C
InChIInChI=1S/C10H19N3S/c1-7(2)5-4-6-12-10-8(3)9(11)13-14-10/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyZGXNAKRUAJHWPT-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.88
Rot. Bonds5

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

4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359310) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
PubChem CID103359310
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCCC(C)C
InChIInChI=1S/C10H19N3S/c1-7(2)5-4-6-12-10-8(3)9(11)13-14-10/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyZGXNAKRUAJHWPT-UHFFFAOYSA-N
XLogP2.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine (CID 103359310) is 4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCCCC(C)C.
What is the InChIKey of 4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine?
The InChIKey is ZGXNAKRUAJHWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7(2)5-4-6-12-10-8(3)9(11)13-14-10/h7,12H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of 4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine?
4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine has a molecular weight of 213.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).