(2-amino-2-methylpropyl)thiourea

C5H13N3S — CID 21119144

IUPAC(2-amino-2-methylpropyl)thiourea
SMILESCC(C)(N)CNC(N)=S
InChIInChI=1S/C5H13N3S/c1-5(2,7)3-8-4(6)9/h3,7H2,1-2H3,(H3,6,8,9)
InChIKeyLRUPCTHZLNFNBQ-UHFFFAOYSA-N
MW147.25 g/mol
LogP-0.44
Rot. Bonds2

About (2-amino-2-methylpropyl)thiourea

(2-amino-2-methylpropyl)thiourea (PubChem CID 21119144) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is (2-amino-2-methylpropyl)thiourea.

Molecular Properties

Compound Name(2-amino-2-methylpropyl)thiourea
PubChem CID21119144
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name(2-amino-2-methylpropyl)thiourea
SMILESCC(C)(N)CNC(N)=S
InChIInChI=1S/C5H13N3S/c1-5(2,7)3-8-4(6)9/h3,7H2,1-2H3,(H3,6,8,9)
InChIKeyLRUPCTHZLNFNBQ-UHFFFAOYSA-N
XLogP-0.44
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-methylpropyl)thiourea?
The IUPAC name of (2-amino-2-methylpropyl)thiourea (CID 21119144) is (2-amino-2-methylpropyl)thiourea.
What is the SMILES notation for (2-amino-2-methylpropyl)thiourea?
The canonical SMILES for (2-amino-2-methylpropyl)thiourea is CC(C)(N)CNC(N)=S.
What is the InChIKey of (2-amino-2-methylpropyl)thiourea?
The InChIKey is LRUPCTHZLNFNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-5(2,7)3-8-4(6)9/h3,7H2,1-2H3,(H3,6,8,9).
What are the key properties of (2-amino-2-methylpropyl)thiourea?
(2-amino-2-methylpropyl)thiourea has a molecular weight of 147.25 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-methylpropyl)thiourea is sourced from PubChem (CID 21119144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).