5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide

C10H13N5OS2 — CID 113387509

IUPAC5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1cnc(C(C)NC(=O)c2nnc(N)s2)s1
InChIInChI=1S/C10H13N5OS2/c1-3-6-4-12-8(17-6)5(2)13-7(16)9-14-15-10(11)18-9/h4-5H,3H2,1-2H3,(H2,11,15)(H,13,16)
InChIKeyUWOPNBFXNFSSOU-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.63
Rot. Bonds4

About 5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide

5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 113387509) has the molecular formula C10H13N5OS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID113387509
Molecular FormulaC10H13N5OS2
Molecular Weight283.38 g/mol
Exact Mass283.06
IUPAC Name5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1cnc(C(C)NC(=O)c2nnc(N)s2)s1
InChIInChI=1S/C10H13N5OS2/c1-3-6-4-12-8(17-6)5(2)13-7(16)9-14-15-10(11)18-9/h4-5H,3H2,1-2H3,(H2,11,15)(H,13,16)
InChIKeyUWOPNBFXNFSSOU-UHFFFAOYSA-N
XLogP1.63
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 113387509) is 5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide is CCc1cnc(C(C)NC(=O)c2nnc(N)s2)s1.
What is the InChIKey of 5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UWOPNBFXNFSSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS2/c1-3-6-4-12-8(17-6)5(2)13-7(16)9-14-15-10(11)18-9/h4-5H,3H2,1-2H3,(H2,11,15)(H,13,16).
What are the key properties of 5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 113387509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).