5-N-heptan-2-yl-1,2-thiazole-3,5-diamine

C10H19N3S — CID 103359602

IUPAC5-N-heptan-2-yl-1,2-thiazole-3,5-diamine
SMILESCCCCCC(C)Nc1cc(N)ns1
InChIInChI=1S/C10H19N3S/c1-3-4-5-6-8(2)12-10-7-9(11)13-14-10/h7-8,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyFFNGUBGXTCRYSA-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.11
Rot. Bonds6

About 5-N-heptan-2-yl-1,2-thiazole-3,5-diamine

5-N-heptan-2-yl-1,2-thiazole-3,5-diamine (PubChem CID 103359602) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-N-heptan-2-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-heptan-2-yl-1,2-thiazole-3,5-diamine
PubChem CID103359602
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name5-N-heptan-2-yl-1,2-thiazole-3,5-diamine
SMILESCCCCCC(C)Nc1cc(N)ns1
InChIInChI=1S/C10H19N3S/c1-3-4-5-6-8(2)12-10-7-9(11)13-14-10/h7-8,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyFFNGUBGXTCRYSA-UHFFFAOYSA-N
XLogP3.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-N-heptan-2-yl-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

5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364953
5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103364979
5-N-(4,4,4-trifluorobutan-2-yl)-1,2-thiazole-3,5-diamine
CID 105942324
5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine
CID 127011540
5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine
CID 130505174
5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine
CID 130505180
5-N-methyl-1,2-thiazole-3,5-diamine
CID 10057532
5-Piperidin-1-yl-1,2-thiazol-3-amine
CID 83668920
5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359195
5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359232
5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine
CID 103359279
5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103359312

Frequently Asked Questions

What is the IUPAC name of 5-N-heptan-2-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-heptan-2-yl-1,2-thiazole-3,5-diamine (CID 103359602) is 5-N-heptan-2-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-heptan-2-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-heptan-2-yl-1,2-thiazole-3,5-diamine is CCCCCC(C)Nc1cc(N)ns1.
What is the InChIKey of 5-N-heptan-2-yl-1,2-thiazole-3,5-diamine?
The InChIKey is FFNGUBGXTCRYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-4-5-6-8(2)12-10-7-9(11)13-14-10/h7-8,12H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 5-N-heptan-2-yl-1,2-thiazole-3,5-diamine?
5-N-heptan-2-yl-1,2-thiazole-3,5-diamine has a molecular weight of 213.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-heptan-2-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).