2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine

C9H18N4S — CID 102768195

IUPAC2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine
SMILESCN(C)CCCCNc1ncc(N)s1
InChIInChI=1S/C9H18N4S/c1-13(2)6-4-3-5-11-9-12-7-8(10)14-9/h7H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyJZNHNMMISQVPJL-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.48
Rot. Bonds6

About 2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine

2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine (PubChem CID 102768195) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine
PubChem CID102768195
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine
SMILESCN(C)CCCCNc1ncc(N)s1
InChIInChI=1S/C9H18N4S/c1-13(2)6-4-3-5-11-9-12-7-8(10)14-9/h7H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyJZNHNMMISQVPJL-UHFFFAOYSA-N
XLogP1.48
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
CID 87787723
2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine
CID 102767271
methyl 2-[4-(dimethylamino)butylamino]-1,3-thiazole-5-carboxylate
CID 80571028
2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine
CID 102769078
1-[(5-amino-1,3-thiazol-2-yl)amino]propan-2-ol
CID 102767603
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
3-[(5-amino-1,3-thiazol-2-yl)amino]propanamide
CID 102767632
N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
CID 79772531
2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 102767758
4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
CID 80816916
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60642086

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine (CID 102768195) is 2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine is CN(C)CCCCNc1ncc(N)s1.
What is the InChIKey of 2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine?
The InChIKey is JZNHNMMISQVPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-13(2)6-4-3-5-11-9-12-7-8(10)14-9/h7H,3-6,10H2,1-2H3,(H,11,12).
What are the key properties of 2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine?
2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine has a molecular weight of 214.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).