1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea

C10H15N3OS — CID 103946435

IUPAC1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea
SMILESCc1cnc(C(C)NC(=S)NC2CC2)o1
InChIInChI=1S/C10H15N3OS/c1-6-5-11-9(14-6)7(2)12-10(15)13-8-3-4-8/h5,7-8H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyMSGZXVQDEXJDOO-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.67
Rot. Bonds3

About 1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea

1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea (PubChem CID 103946435) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea
PubChem CID103946435
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea
SMILESCc1cnc(C(C)NC(=S)NC2CC2)o1
InChIInChI=1S/C10H15N3OS/c1-6-5-11-9(14-6)7(2)12-10(15)13-8-3-4-8/h5,7-8H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyMSGZXVQDEXJDOO-UHFFFAOYSA-N
XLogP1.67
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.67
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

1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103947062
3-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclopentane-1,3-diamine
CID 106387997
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine
CID 127001473
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidin-4-amine
CID 103893746
cis-(1S,2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106387762
2-carbamothioyl-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 114182415
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-2-carboxamide
CID 114182398
1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine
CID 106387939
1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea
CID 106370549
1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea
CID 106217389

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea (CID 103946435) is 1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea is Cc1cnc(C(C)NC(=S)NC2CC2)o1.
What is the InChIKey of 1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea?
The InChIKey is MSGZXVQDEXJDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6-5-11-9(14-6)7(2)12-10(15)13-8-3-4-8/h5,7-8H,3-4H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea?
1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea has a molecular weight of 225.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea is sourced from PubChem (CID 103946435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).