[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea

C5H10N4OS — CID 130937458

IUPAC[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea
SMILESCC1CN=C(NNC(N)=O)S1
InChIInChI=1S/C5H10N4OS/c1-3-2-7-5(11-3)9-8-4(6)10/h3H,2H2,1H3,(H,7,9)(H3,6,8,10)
InChIKeyQGVVXSHVNRTVLB-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.35
Rot. Bonds

About [(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea

[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea (PubChem CID 130937458) has the molecular formula C5H10N4OS and a molecular weight of 174.23 g/mol. Its IUPAC name is [(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea.

Molecular Properties

Compound Name[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea
PubChem CID130937458
Molecular FormulaC5H10N4OS
Molecular Weight174.23 g/mol
Exact Mass174.06
IUPAC Name[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea
SMILESCC1CN=C(NNC(N)=O)S1
InChIInChI=1S/C5H10N4OS/c1-3-2-7-5(11-3)9-8-4(6)10/h3H,2H2,1H3,(H,7,9)(H3,6,8,10)
InChIKeyQGVVXSHVNRTVLB-UHFFFAOYSA-N
XLogP-0.35
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-one
CID 21566848

Frequently Asked Questions

What is the IUPAC name of [(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea?
The IUPAC name of [(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea (CID 130937458) is [(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea.
What is the SMILES notation for [(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea?
The canonical SMILES for [(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea is CC1CN=C(NNC(N)=O)S1.
What is the InChIKey of [(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea?
The InChIKey is QGVVXSHVNRTVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4OS/c1-3-2-7-5(11-3)9-8-4(6)10/h3H,2H2,1H3,(H,7,9)(H3,6,8,10).
What are the key properties of [(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea?
[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea has a molecular weight of 174.23 g/mol, XLogP of -0.35, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]urea is sourced from PubChem (CID 130937458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).