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

C10H11ClN4OS2 — CID 113387177

IUPAC5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1cnc(C(C)NC(=O)c2nnc(Cl)s2)s1
InChIInChI=1S/C10H11ClN4OS2/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,(H,13,16)
InChIKeyHIHUMDVIOQPXDC-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.70
Rot. Bonds4

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

5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 113387177) has the molecular formula C10H11ClN4OS2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID113387177
Molecular FormulaC10H11ClN4OS2
Molecular Weight302.81 g/mol
Exact Mass302.01
IUPAC Name5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1cnc(C(C)NC(=O)c2nnc(Cl)s2)s1
InChIInChI=1S/C10H11ClN4OS2/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,(H,13,16)
InChIKeyHIHUMDVIOQPXDC-UHFFFAOYSA-N
XLogP2.70
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 113387177) is 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide is CCc1cnc(C(C)NC(=O)c2nnc(Cl)s2)s1.
What is the InChIKey of 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HIHUMDVIOQPXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS2/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,(H,13,16).
What are the key properties of 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 302.81 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 113387177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).