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

C10H15N3O3S2 — CID 110330131

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESNc1nc(CCC(=O)NC2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C10H15N3O3S2/c11-10-13-7(5-17-10)1-2-9(14)12-8-3-4-18(15,16)6-8/h5,8H,1-4,6H2,(H2,11,13)(H,12,14)
InChIKeySDWIQJUWLOMELU-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.04
Rot. Bonds4

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

3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 110330131) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID110330131
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESNc1nc(CCC(=O)NC2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C10H15N3O3S2/c11-10-13-7(5-17-10)1-2-9(14)12-8-3-4-18(15,16)6-8/h5,8H,1-4,6H2,(H2,11,13)(H,12,14)
InChIKeySDWIQJUWLOMELU-UHFFFAOYSA-N
XLogP-0.04
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110374480
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
CID 96564072
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 41063797
ethyl 3-[2-[(1,1-dioxothiolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485960
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46558909
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
CID 42943455
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 95321073
N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 22830480
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815676
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide (CID 110330131) is 3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide is Nc1nc(CCC(=O)NC2CCS(=O)(=O)C2)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is SDWIQJUWLOMELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c11-10-13-7(5-17-10)1-2-9(14)12-8-3-4-18(15,16)6-8/h5,8H,1-4,6H2,(H2,11,13)(H,12,14).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 110330131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).