N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine

C11H10N4S3 — CID 11779240

IUPACN-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2csc(-c3cccs3)n2)s1
InChIInChI=1S/C11H10N4S3/c1-2-12-11-15-14-9(18-11)7-6-17-10(13-7)8-4-3-5-16-8/h3-6H,2H2,1H3,(H,12,15)
InChIKeyBMZZSMBIWILXJC-UHFFFAOYSA-N
MW294.43 g/mol
LogP3.82
Rot. Bonds4

About N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 11779240) has the molecular formula C11H10N4S3 and a molecular weight of 294.43 g/mol. Its IUPAC name is N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID11779240
Molecular FormulaC11H10N4S3
Molecular Weight294.43 g/mol
Exact Mass294.01
IUPAC NameN-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2csc(-c3cccs3)n2)s1
InChIInChI=1S/C11H10N4S3/c1-2-12-11-15-14-9(18-11)7-6-17-10(13-7)8-4-3-5-16-8/h3-6H,2H2,1H3,(H,12,15)
InChIKeyBMZZSMBIWILXJC-UHFFFAOYSA-N
XLogP3.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine (CID 11779240) is N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2csc(-c3cccs3)n2)s1.
What is the InChIKey of N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BMZZSMBIWILXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S3/c1-2-12-11-15-14-9(18-11)7-6-17-10(13-7)8-4-3-5-16-8/h3-6H,2H2,1H3,(H,12,15).
What are the key properties of N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 294.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 11779240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).