2-(propan-2-ylcarbamothioylamino)propanamide

C7H15N3OS — CID 116507425

IUPAC2-(propan-2-ylcarbamothioylamino)propanamide
SMILESCC(C)NC(=S)NC(C)C(N)=O
InChIInChI=1S/C7H15N3OS/c1-4(2)9-7(12)10-5(3)6(8)11/h4-5H,1-3H3,(H2,8,11)(H2,9,10,12)
InChIKeyPTFAZGOVNLTZPV-UHFFFAOYSA-N
MW189.28 g/mol
LogP-0.27
Rot. Bonds3

About 2-(propan-2-ylcarbamothioylamino)propanamide

2-(propan-2-ylcarbamothioylamino)propanamide (PubChem CID 116507425) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-(propan-2-ylcarbamothioylamino)propanamide.

Molecular Properties

Compound Name2-(propan-2-ylcarbamothioylamino)propanamide
PubChem CID116507425
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name2-(propan-2-ylcarbamothioylamino)propanamide
SMILESCC(C)NC(=S)NC(C)C(N)=O
InChIInChI=1S/C7H15N3OS/c1-4(2)9-7(12)10-5(3)6(8)11/h4-5H,1-3H3,(H2,8,11)(H2,9,10,12)
InChIKeyPTFAZGOVNLTZPV-UHFFFAOYSA-N
XLogP-0.27
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(propan-2-ylcarbamothioylamino)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

3-methyl-2-(propan-2-ylcarbamothioylamino)butanamide
CID 106344675
acetic acid;1,3-di(propan-2-yl)thiourea
CID 173402637
2-(cyclopropylcarbamothioylamino)propanamide
CID 116507427
[(2R)-1-amino-1-oxopropan-2-yl]carbamic acid
CID 66814352
(2S)-2-[(carbamothioylamino)carbamoylamino]propanamide
CID 130652208
N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
CID 115573098
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
2-[2-(methylamino)propanoylamino]propanamide
CID 62637644
2-(hydroxyamino)propanamide
CID 12611671
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
3-[(1-amino-1-oxopropan-2-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114896888
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylcarbamothioylamino)propanamide?
The IUPAC name of 2-(propan-2-ylcarbamothioylamino)propanamide (CID 116507425) is 2-(propan-2-ylcarbamothioylamino)propanamide.
What is the SMILES notation for 2-(propan-2-ylcarbamothioylamino)propanamide?
The canonical SMILES for 2-(propan-2-ylcarbamothioylamino)propanamide is CC(C)NC(=S)NC(C)C(N)=O.
What is the InChIKey of 2-(propan-2-ylcarbamothioylamino)propanamide?
The InChIKey is PTFAZGOVNLTZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-4(2)9-7(12)10-5(3)6(8)11/h4-5H,1-3H3,(H2,8,11)(H2,9,10,12).
What are the key properties of 2-(propan-2-ylcarbamothioylamino)propanamide?
2-(propan-2-ylcarbamothioylamino)propanamide has a molecular weight of 189.28 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylcarbamothioylamino)propanamide is sourced from PubChem (CID 116507425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).