5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine

C11H14N4S2 — CID 82423523

IUPAC5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cnc(C3CC3)s2)s1
InChIInChI=1S/C11H14N4S2/c1-2-5-12-11-15-14-10(17-11)8-6-13-9(16-8)7-3-4-7/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyUIOGUHZVKHZECI-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.36
Rot. Bonds5

About 5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine

5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 82423523) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID82423523
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC Name5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cnc(C3CC3)s2)s1
InChIInChI=1S/C11H14N4S2/c1-2-5-12-11-15-14-10(17-11)8-6-13-9(16-8)7-3-4-7/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyUIOGUHZVKHZECI-UHFFFAOYSA-N
XLogP3.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 82423523) is 5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2cnc(C3CC3)s2)s1.
What is the InChIKey of 5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UIOGUHZVKHZECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-2-5-12-11-15-14-10(17-11)8-6-13-9(16-8)7-3-4-7/h6-7H,2-5H2,1H3,(H,12,15).
What are the key properties of 5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82423523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).