(2S)-2-[(carbamothioylamino)carbamoylamino]propanamide

C5H11N5O2S — CID 130652208

IUPAC(2S)-2-[(carbamothioylamino)carbamoylamino]propanamide
SMILESC[C@H](NC(=O)NNC(N)=S)C(N)=O
InChIInChI=1S/C5H11N5O2S/c1-2(3(6)11)8-5(12)10-9-4(7)13/h2H,1H3,(H2,6,11)(H3,7,9,13)(H2,8,10,12)/t2-/m0/s1
InChIKeyJRPKGIAJZKVELM-REOHCLBHSA-N
MW205.24 g/mol
LogP-2.09
Rot. Bonds2

About (2S)-2-[(carbamothioylamino)carbamoylamino]propanamide

(2S)-2-[(carbamothioylamino)carbamoylamino]propanamide (PubChem CID 130652208) has the molecular formula C5H11N5O2S and a molecular weight of 205.24 g/mol. Its IUPAC name is (2S)-2-[(carbamothioylamino)carbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(carbamothioylamino)carbamoylamino]propanamide
PubChem CID130652208
Molecular FormulaC5H11N5O2S
Molecular Weight205.24 g/mol
Exact Mass205.06
IUPAC Name(2S)-2-[(carbamothioylamino)carbamoylamino]propanamide
SMILESC[C@H](NC(=O)NNC(N)=S)C(N)=O
InChIInChI=1S/C5H11N5O2S/c1-2(3(6)11)8-5(12)10-9-4(7)13/h2H,1H3,(H2,6,11)(H3,7,9,13)(H2,8,10,12)/t2-/m0/s1
InChIKeyJRPKGIAJZKVELM-REOHCLBHSA-N
XLogP-2.09
TPSA122.27 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2S)-2-[(carbamothioylamino)carbamoylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Amino-3-(1-hydrazinyl-1-oxopropan-2-yl)urea
CID 88778393
2-[(Propan-2-ylamino)carbamoylamino]acetamide
CID 130198448
(1-Hydrazinyl-1-oxopropan-2-yl)urea
CID 43236566
2-[(aminocarbamothioyl)amino]-N-methylacetamide
CID 43310602
2-(hydrazinecarbonylamino)-N-methylacetamide
CID 43310713
2-(Aminocarbamothioylamino)propanamide
CID 43545667
2-(Hydrazinecarbonylamino)propanamide
CID 43545824
2-(aminocarbamothioylamino)-N-ethylacetamide
CID 43566436
2-(aminocarbamothioylamino)-N-propylacetamide
CID 43567460
2-(aminocarbamothioylamino)-N-propan-2-ylacetamide
CID 43567961
2-(hydrazinecarbonylamino)-N-propan-2-ylacetamide
CID 43568099
2-(aminocarbamothioylamino)-N-cyclopropylacetamide
CID 43568460

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(carbamothioylamino)carbamoylamino]propanamide?
The IUPAC name of (2S)-2-[(carbamothioylamino)carbamoylamino]propanamide (CID 130652208) is (2S)-2-[(carbamothioylamino)carbamoylamino]propanamide.
What is the SMILES notation for (2S)-2-[(carbamothioylamino)carbamoylamino]propanamide?
The canonical SMILES for (2S)-2-[(carbamothioylamino)carbamoylamino]propanamide is C[C@H](NC(=O)NNC(N)=S)C(N)=O.
What is the InChIKey of (2S)-2-[(carbamothioylamino)carbamoylamino]propanamide?
The InChIKey is JRPKGIAJZKVELM-REOHCLBHSA-N. The full InChI is InChI=1S/C5H11N5O2S/c1-2(3(6)11)8-5(12)10-9-4(7)13/h2H,1H3,(H2,6,11)(H3,7,9,13)(H2,8,10,12)/t2-/m0/s1.
What are the key properties of (2S)-2-[(carbamothioylamino)carbamoylamino]propanamide?
(2S)-2-[(carbamothioylamino)carbamoylamino]propanamide has a molecular weight of 205.24 g/mol, XLogP of -2.09, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(carbamothioylamino)carbamoylamino]propanamide is sourced from PubChem (CID 130652208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).