N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide

C14H13N5O2S3 — CID 43819427

IUPACN-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide
SMILESO=C(NCc1cccs1)Nc1snnc1C(=O)NCc1cccs1
InChIInChI=1S/C14H13N5O2S3/c20-12(15-7-9-3-1-5-22-9)11-13(24-19-18-11)17-14(21)16-8-10-4-2-6-23-10/h1-6H,7-8H2,(H,15,20)(H2,16,17,21)
InChIKeyCNLZHESIMIENDK-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.91
Rot. Bonds6

About N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide

N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide (PubChem CID 43819427) has the molecular formula C14H13N5O2S3 and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide
PubChem CID43819427
Molecular FormulaC14H13N5O2S3
Molecular Weight379.49 g/mol
Exact Mass379.02
IUPAC NameN-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide
SMILESO=C(NCc1cccs1)Nc1snnc1C(=O)NCc1cccs1
InChIInChI=1S/C14H13N5O2S3/c20-12(15-7-9-3-1-5-22-9)11-13(24-19-18-11)17-14(21)16-8-10-4-2-6-23-10/h1-6H,7-8H2,(H,15,20)(H2,16,17,21)
InChIKeyCNLZHESIMIENDK-UHFFFAOYSA-N
XLogP2.91
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
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1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
1-(thiophen-2-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47173526
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
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6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
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CID 3237026

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide (CID 43819427) is N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide is O=C(NCc1cccs1)Nc1snnc1C(=O)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide?
The InChIKey is CNLZHESIMIENDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S3/c20-12(15-7-9-3-1-5-22-9)11-13(24-19-18-11)17-14(21)16-8-10-4-2-6-23-10/h1-6H,7-8H2,(H,15,20)(H2,16,17,21).
What are the key properties of N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide?
N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide is sourced from PubChem (CID 43819427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).