N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C9H11N5O2S — CID 80616815

IUPACN-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)Nc2ccon2)s1
InChIInChI=1S/C9H11N5O2S/c1-2-4-10-9-13-12-8(17-9)7(15)11-6-3-5-16-14-6/h3,5H,2,4H2,1H3,(H,10,13)(H,11,14,15)
InChIKeyDXLYALXCAGRLHQ-UHFFFAOYSA-N
MW253.29 g/mol
LogP1.60
Rot. Bonds5

About N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616815) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616815
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC NameN-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)Nc2ccon2)s1
InChIInChI=1S/C9H11N5O2S/c1-2-4-10-9-13-12-8(17-9)7(15)11-6-3-5-16-14-6/h3,5H,2,4H2,1H3,(H,10,13)(H,11,14,15)
InChIKeyDXLYALXCAGRLHQ-UHFFFAOYSA-N
XLogP1.60
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1,2-oxazol-3-yl)-5-(propylamino)-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

Related Compounds

5-chloro-N-(1,2-oxazol-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618798
N-(2-bromophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615873
N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615091
N-(4-chloro-2-iodophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107631539
N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619227
N-(4-bromo-2-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618111
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114389392
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106050447
5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615811
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
5-ethyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 17217746
4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide
CID 17250146

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80616815) is N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)Nc2ccon2)s1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DXLYALXCAGRLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-2-4-10-9-13-12-8(17-9)7(15)11-6-3-5-16-14-6/h3,5H,2,4H2,1H3,(H,10,13)(H,11,14,15).
What are the key properties of N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 253.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).