1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine

C9H18N4S — CID 65275792

IUPAC1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
SMILESCCC(N)CNc1nc(C(C)C)ns1
InChIInChI=1S/C9H18N4S/c1-4-7(10)5-11-9-12-8(6(2)3)13-14-9/h6-7H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyVIZQFJABUMTRCJ-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.81
Rot. Bonds5

About 1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine

1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine (PubChem CID 65275792) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
PubChem CID65275792
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
SMILESCCC(N)CNc1nc(C(C)C)ns1
InChIInChI=1S/C9H18N4S/c1-4-7(10)5-11-9-12-8(6(2)3)13-14-9/h6-7H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyVIZQFJABUMTRCJ-UHFFFAOYSA-N
XLogP1.81
TPSA63.83 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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The IUPAC name of 1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine (CID 65275792) is 1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The canonical SMILES for 1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine is CCC(N)CNc1nc(C(C)C)ns1.
What is the InChIKey of 1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The InChIKey is VIZQFJABUMTRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-4-7(10)5-11-9-12-8(6(2)3)13-14-9/h6-7H,4-5,10H2,1-3H3,(H,11,12,13).
What are the key properties of 1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine has a molecular weight of 214.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine is sourced from PubChem (CID 65275792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).