(2-methylpentanoylamino)thiourea

C7H15N3OS — CID 65217200

IUPAC(2-methylpentanoylamino)thiourea
SMILESCCCC(C)C(=O)NNC(N)=S
InChIInChI=1S/C7H15N3OS/c1-3-4-5(2)6(11)9-10-7(8)12/h5H,3-4H2,1-2H3,(H,9,11)(H3,8,10,12)
InChIKeyRZDCPIWFHLZJGR-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.29
Rot. Bonds3

About (2-methylpentanoylamino)thiourea

(2-methylpentanoylamino)thiourea (PubChem CID 65217200) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is (2-methylpentanoylamino)thiourea.

Molecular Properties

Compound Name(2-methylpentanoylamino)thiourea
PubChem CID65217200
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name(2-methylpentanoylamino)thiourea
SMILESCCCC(C)C(=O)NNC(N)=S
InChIInChI=1S/C7H15N3OS/c1-3-4-5(2)6(11)9-10-7(8)12/h5H,3-4H2,1-2H3,(H,9,11)(H3,8,10,12)
InChIKeyRZDCPIWFHLZJGR-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentanehydrazide
CID 43183484
N'-tert-butyl-2-methylpentanehydrazide
CID 172682852
2-methyl-N-propan-2-ylpentanamide
CID 4628268
(2S)-N-ethoxy-2-methylpentanamide
CID 90228672
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide
CID 82983954
(3S)-3-methyl-2-oxohexanamide
CID 145466724
N-(4-carbamothioylphenyl)-2-methylpentanamide
CID 43210162
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
N-(2-carbamothioylcyclopentyl)-2-methylpentanamide
CID 62956390
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
CID 107821489
N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide
CID 61120703
2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide
CID 154450387

Frequently Asked Questions

What is the IUPAC name of (2-methylpentanoylamino)thiourea?
The IUPAC name of (2-methylpentanoylamino)thiourea (CID 65217200) is (2-methylpentanoylamino)thiourea.
What is the SMILES notation for (2-methylpentanoylamino)thiourea?
The canonical SMILES for (2-methylpentanoylamino)thiourea is CCCC(C)C(=O)NNC(N)=S.
What is the InChIKey of (2-methylpentanoylamino)thiourea?
The InChIKey is RZDCPIWFHLZJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-3-4-5(2)6(11)9-10-7(8)12/h5H,3-4H2,1-2H3,(H,9,11)(H3,8,10,12).
What are the key properties of (2-methylpentanoylamino)thiourea?
(2-methylpentanoylamino)thiourea has a molecular weight of 189.28 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpentanoylamino)thiourea is sourced from PubChem (CID 65217200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).