1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea

C16H21N5O2S — CID 167955854

IUPAC1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCC(C1CCOCC1)N(C)C(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C16H21N5O2S/c1-11(12-6-9-23-10-7-12)21(2)16(22)18-15-20-19-14(24-15)13-5-3-4-8-17-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,18,20,22)
InChIKeyOAFNRBPRAIOQFX-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.88
Rot. Bonds4

About 1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea

1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 167955854) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID167955854
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCC(C1CCOCC1)N(C)C(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C16H21N5O2S/c1-11(12-6-9-23-10-7-12)21(2)16(22)18-15-20-19-14(24-15)13-5-3-4-8-17-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,18,20,22)
InChIKeyOAFNRBPRAIOQFX-UHFFFAOYSA-N
XLogP2.88
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 94154168
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 120939549
2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 122134184
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733
4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51119005
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 75467005
1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea
CID 47050439
(2R)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;dihydrochloride
CID 119855707
5-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 167804421
1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 47716208

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea (CID 167955854) is 1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea is CC(C1CCOCC1)N(C)C(=O)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of 1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is OAFNRBPRAIOQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11(12-6-9-23-10-7-12)21(2)16(22)18-15-20-19-14(24-15)13-5-3-4-8-17-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,18,20,22).
What are the key properties of 1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 347.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 167955854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).