5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine

C9H18N4S — CID 68831045

IUPAC5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)NCCC(C)c1nnc(N)s1
InChIInChI=1S/C9H18N4S/c1-6(2)11-5-4-7(3)8-12-13-9(10)14-8/h6-7,11H,4-5H2,1-3H3,(H2,10,13)
InChIKeyKFYWCQHCPMQXSG-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.61
Rot. Bonds5

About 5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine

5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 68831045) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID68831045
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)NCCC(C)c1nnc(N)s1
InChIInChI=1S/C9H18N4S/c1-6(2)11-5-4-7(3)8-12-13-9(10)14-8/h6-7,11H,4-5H2,1-3H3,(H2,10,13)
InChIKeyKFYWCQHCPMQXSG-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine (CID 68831045) is 5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine is CC(C)NCCC(C)c1nnc(N)s1.
What is the InChIKey of 5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KFYWCQHCPMQXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-6(2)11-5-4-7(3)8-12-13-9(10)14-8/h6-7,11H,4-5H2,1-3H3,(H2,10,13).
What are the key properties of 5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine?
5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 214.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 68831045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).