3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide

C14H17N3O3S3 — CID 110374480

IUPAC3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESNc1nc(-c2cccs2)c(CCC(=O)NC2CCS(=O)(=O)C2)s1
InChIInChI=1S/C14H17N3O3S3/c15-14-17-13(10-2-1-6-21-10)11(22-14)3-4-12(18)16-9-5-7-23(19,20)8-9/h1-2,6,9H,3-5,7-8H2,(H2,15,17)(H,16,18)
InChIKeySPWDKGCTYOFDOJ-UHFFFAOYSA-N
MW371.51 g/mol
LogP1.69
Rot. Bonds5

About 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 110374480) has the molecular formula C14H17N3O3S3 and a molecular weight of 371.51 g/mol. Its IUPAC name is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID110374480
Molecular FormulaC14H17N3O3S3
Molecular Weight371.51 g/mol
Exact Mass371.04
IUPAC Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESNc1nc(-c2cccs2)c(CCC(=O)NC2CCS(=O)(=O)C2)s1
InChIInChI=1S/C14H17N3O3S3/c15-14-17-13(10-2-1-6-21-10)11(22-14)3-4-12(18)16-9-5-7-23(19,20)8-9/h1-2,6,9H,3-5,7-8H2,(H2,15,17)(H,16,18)
InChIKeySPWDKGCTYOFDOJ-UHFFFAOYSA-N
XLogP1.69
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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1-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-thiophen-2-ylphenyl)urea
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3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
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3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide (CID 110374480) is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide is Nc1nc(-c2cccs2)c(CCC(=O)NC2CCS(=O)(=O)C2)s1.
What is the InChIKey of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is SPWDKGCTYOFDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S3/c15-14-17-13(10-2-1-6-21-10)11(22-14)3-4-12(18)16-9-5-7-23(19,20)8-9/h1-2,6,9H,3-5,7-8H2,(H2,15,17)(H,16,18).
What are the key properties of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 371.51 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 110374480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).