ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate

C14H16N4O3S — CID 51091845

IUPACethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate
SMILESCCOC(=O)NCCC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C14H16N4O3S/c1-2-21-14(20)15-9-8-11(19)16-13-17-12(18-22-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,20)(H,16,17,18,19)
InChIKeyHUIVDFYOUVQGRP-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.28
Rot. Bonds6

About ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate

ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate (PubChem CID 51091845) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate
PubChem CID51091845
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Nameethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate
SMILESCCOC(=O)NCCC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C14H16N4O3S/c1-2-21-14(20)15-9-8-11(19)16-13-17-12(18-22-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,20)(H,16,17,18,19)
InChIKeyHUIVDFYOUVQGRP-UHFFFAOYSA-N
XLogP2.28
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethylphenyl)-4-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)butanamide
CID 55819469
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
3-(2-nitroanilino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 47044436
2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17013300
ethyl 2-(3-benzamidopropanoylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566727
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750393
N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 18128642
3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 55880683
2-(1-hydroxycyclopentyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 111430681
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10803880
2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 87025493

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate?
The IUPAC name of ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate (CID 51091845) is ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate.
What is the SMILES notation for ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate?
The canonical SMILES for ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate is CCOC(=O)NCCC(=O)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate?
The InChIKey is HUIVDFYOUVQGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-2-21-14(20)15-9-8-11(19)16-13-17-12(18-22-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,20)(H,16,17,18,19).
What are the key properties of ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate?
ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate has a molecular weight of 320.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate is sourced from PubChem (CID 51091845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).