1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea

C13H18N4OS — CID 94591469

IUPAC1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea
SMILESS=C(Nc1ccc(N2CCOCC2)nc1)NC1CC1
InChIInChI=1S/C13H18N4OS/c19-13(15-10-1-2-10)16-11-3-4-12(14-9-11)17-5-7-18-8-6-17/h3-4,9-10H,1-2,5-8H2,(H2,15,16,19)
InChIKeyKNKREYUBKHZANX-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.37
Rot. Bonds3

About 1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea

1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea (PubChem CID 94591469) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea
PubChem CID94591469
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea
SMILESS=C(Nc1ccc(N2CCOCC2)nc1)NC1CC1
InChIInChI=1S/C13H18N4OS/c19-13(15-10-1-2-10)16-11-3-4-12(14-9-11)17-5-7-18-8-6-17/h3-4,9-10H,1-2,5-8H2,(H2,15,16,19)
InChIKeyKNKREYUBKHZANX-UHFFFAOYSA-N
XLogP1.37
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 53498070
N-cyclopentyl-6-morpholin-4-ylpyridin-3-amine
CID 43724730
1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea
CID 133149882
1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylthiourea
CID 146928698
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
1-cyclopropyl-3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]urea
CID 113010170
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 75461240
N-(1-cyclopentylethyl)-6-morpholin-4-ylpyridin-3-amine
CID 62631562
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea (CID 94591469) is 1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea is S=C(Nc1ccc(N2CCOCC2)nc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea?
The InChIKey is KNKREYUBKHZANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c19-13(15-10-1-2-10)16-11-3-4-12(14-9-11)17-5-7-18-8-6-17/h3-4,9-10H,1-2,5-8H2,(H2,15,16,19).
What are the key properties of 1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea?
1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea has a molecular weight of 278.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea is sourced from PubChem (CID 94591469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).