5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine

C9H18N4S — CID 103361037

IUPAC5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine
SMILESCC(C)N(C)CCNc1cc(N)ns1
InChIInChI=1S/C9H18N4S/c1-7(2)13(3)5-4-11-9-6-8(10)12-14-9/h6-7,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeySBHGMBJGZQULOU-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.48
Rot. Bonds5

About 5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine

5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103361037) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103361037
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine
SMILESCC(C)N(C)CCNc1cc(N)ns1
InChIInChI=1S/C9H18N4S/c1-7(2)13(3)5-4-11-9-6-8(10)12-14-9/h6-7,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeySBHGMBJGZQULOU-UHFFFAOYSA-N
XLogP1.48
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine
CID 103364233
5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365523
N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 103359211
5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine
CID 103364815
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771783
5-(2,2-dimethylhydrazinyl)-1,2-thiazol-3-amine
CID 103364841
6-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-2,6-diamine
CID 80646824
5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine
CID 103360202
5-N-(2-cyclopentylethyl)-1,2-thiazole-3,5-diamine
CID 103364211
2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine
CID 62636793
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine
CID 80833143
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106412755

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine (CID 103361037) is 5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine is CC(C)N(C)CCNc1cc(N)ns1.
What is the InChIKey of 5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is SBHGMBJGZQULOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-7(2)13(3)5-4-11-9-6-8(10)12-14-9/h6-7,11H,4-5H2,1-3H3,(H2,10,12).
What are the key properties of 5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine?
5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 214.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).