3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide

C11H16N4O4S2 — CID 42654385

IUPAC3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCNC(=O)NC1CCS(=O)(=O)C1)Nc1nccs1
InChIInChI=1S/C11H16N4O4S2/c16-9(15-11-13-4-5-20-11)1-3-12-10(17)14-8-2-6-21(18,19)7-8/h4-5,8H,1-3,6-7H2,(H2,12,14,17)(H,13,15,16)
InChIKeyUTJXTNUCBQQWKS-UHFFFAOYSA-N
MW332.41 g/mol
LogP-0.04
Rot. Bonds5

About 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide

3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 42654385) has the molecular formula C11H16N4O4S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID42654385
Molecular FormulaC11H16N4O4S2
Molecular Weight332.41 g/mol
Exact Mass332.06
IUPAC Name3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCNC(=O)NC1CCS(=O)(=O)C1)Nc1nccs1
InChIInChI=1S/C11H16N4O4S2/c16-9(15-11-13-4-5-20-11)1-3-12-10(17)14-8-2-6-21(18,19)7-8/h4-5,8H,1-3,6-7H2,(H2,12,14,17)(H,13,15,16)
InChIKeyUTJXTNUCBQQWKS-UHFFFAOYSA-N
XLogP-0.04
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichlorophenyl)-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]propanamide
CID 51721555
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide
CID 42654840
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[6-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]hexyl]urea
CID 51522467
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]propanamide
CID 39336830
3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 39310298
1-(1,1-dioxothiolan-3-yl)-3-[3-(pyridin-2-ylamino)propyl]urea
CID 131962718
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
CID 8762604
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide
CID 50955525

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide (CID 42654385) is 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide is O=C(CCNC(=O)NC1CCS(=O)(=O)C1)Nc1nccs1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is UTJXTNUCBQQWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S2/c16-9(15-11-13-4-5-20-11)1-3-12-10(17)14-8-2-6-21(18,19)7-8/h4-5,8H,1-3,6-7H2,(H2,12,14,17)(H,13,15,16).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide?
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 332.41 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 42654385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).