N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide

C13H14N4OS — CID 1451861

IUPACN-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
SMILESCCN(C(=O)C1CC1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C13H14N4OS/c1-2-17(12(18)9-5-6-9)13-16-15-11(19-13)10-4-3-7-14-8-10/h3-4,7-9H,2,5-6H2,1H3
InChIKeyOOEAMPPUKVCLOA-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.36
Rot. Bonds4

About N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide

N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide (PubChem CID 1451861) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
PubChem CID1451861
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
SMILESCCN(C(=O)C1CC1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C13H14N4OS/c1-2-17(12(18)9-5-6-9)13-16-15-11(19-13)10-4-3-7-14-8-10/h3-4,7-9H,2,5-6H2,1H3
InChIKeyOOEAMPPUKVCLOA-UHFFFAOYSA-N
XLogP2.36
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1451867
N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 1451556
S-methyl N-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)carbamothioate
CID 87085130
3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 3767768
N-butyl-4-tert-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3212807
N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 3498004
2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1444906
3-nitro-N-propyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1451901
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropanamide
CID 1451659
N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 70685212
N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451783
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide
CID 59580612

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide (CID 1451861) is N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide is CCN(C(=O)C1CC1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is OOEAMPPUKVCLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-2-17(12(18)9-5-6-9)13-16-15-11(19-13)10-4-3-7-14-8-10/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 1451861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).