(5-methyl-1,2-oxazol-3-yl)thiourea

C5H7N3OS — CID 2771005

IUPAC(5-methyl-1,2-oxazol-3-yl)thiourea
SMILESCc1cc(NC(N)=S)no1
InChIInChI=1S/C5H7N3OS/c1-3-2-4(8-9-3)7-5(6)10/h2H,1H3,(H3,6,7,8,10)
InChIKeyWOIJLCXJXDRMJX-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.64
Rot. Bonds1

About (5-methyl-1,2-oxazol-3-yl)thiourea

(5-methyl-1,2-oxazol-3-yl)thiourea (PubChem CID 2771005) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)thiourea.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)thiourea
PubChem CID2771005
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name(5-methyl-1,2-oxazol-3-yl)thiourea
SMILESCc1cc(NC(N)=S)no1
InChIInChI=1S/C5H7N3OS/c1-3-2-4(8-9-3)7-5(6)10/h2H,1H3,(H3,6,7,8,10)
InChIKeyWOIJLCXJXDRMJX-UHFFFAOYSA-N
XLogP0.64
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine
CID 172819404
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N-(2-carbamoylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 48528626
3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
CID 130735467
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide
CID 131961427
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 54996242
3-amino-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 64893505
N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 91902538
2-methyl-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62836911
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 110692041

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)thiourea?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)thiourea (CID 2771005) is (5-methyl-1,2-oxazol-3-yl)thiourea.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)thiourea?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)thiourea is Cc1cc(NC(N)=S)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)thiourea?
The InChIKey is WOIJLCXJXDRMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-3-2-4(8-9-3)7-5(6)10/h2H,1H3,(H3,6,7,8,10).
What are the key properties of (5-methyl-1,2-oxazol-3-yl)thiourea?
(5-methyl-1,2-oxazol-3-yl)thiourea has a molecular weight of 157.20 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)thiourea is sourced from PubChem (CID 2771005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).