2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine

C8H15N3S2 — CID 102769066

IUPAC2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine
SMILESCCSCC(C)Nc1ncc(N)s1
InChIInChI=1S/C8H15N3S2/c1-3-12-5-6(2)11-8-10-4-7(9)13-8/h4,6H,3,5,9H2,1-2H3,(H,10,11)
InChIKeyOADBCTSKBVPCLZ-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.28
Rot. Bonds5

About 2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine

2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine (PubChem CID 102769066) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine
PubChem CID102769066
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC Name2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine
SMILESCCSCC(C)Nc1ncc(N)s1
InChIInChI=1S/C8H15N3S2/c1-3-12-5-6(2)11-8-10-4-7(9)13-8/h4,6H,3,5,9H2,1-2H3,(H,10,11)
InChIKeyOADBCTSKBVPCLZ-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102767605
2-N-(1-ethoxypropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768135
2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768492
2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102767910
N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine
CID 106582182
2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102767929
2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine
CID 102768509
2-N-(1-methoxybutan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768548
2-[(5-amino-1,3-thiazol-2-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106716
1-[(5-amino-1,3-thiazol-2-yl)amino]propan-2-ol
CID 102767603
2-N-(1-cyclopropylbutan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768513
2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide
CID 106344040

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine (CID 102769066) is 2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine is CCSCC(C)Nc1ncc(N)s1.
What is the InChIKey of 2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine?
The InChIKey is OADBCTSKBVPCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-3-12-5-6(2)11-8-10-4-7(9)13-8/h4,6H,3,5,9H2,1-2H3,(H,10,11).
What are the key properties of 2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine?
2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine has a molecular weight of 217.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102769066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).