1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea

C15H20N6OS — CID 51081435

IUPAC1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)Nc1nncs1
InChIInChI=1S/C15H20N6OS/c22-14(19-15-20-18-11-23-15)17-10-12-5-6-13(16-9-12)21-7-3-1-2-4-8-21/h5-6,9,11H,1-4,7-8,10H2,(H2,17,19,20,22)
InChIKeyVIFRFXPRSSDIOE-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.64
Rot. Bonds4

About 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea

1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 51081435) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID51081435
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)Nc1nncs1
InChIInChI=1S/C15H20N6OS/c22-14(19-15-20-18-11-23-15)17-10-12-5-6-13(16-9-12)21-7-3-1-2-4-8-21/h5-6,9,11H,1-4,7-8,10H2,(H2,17,19,20,22)
InChIKeyVIFRFXPRSSDIOE-UHFFFAOYSA-N
XLogP2.64
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(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-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36513862
1-prop-2-enyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36507156
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
1-hydroxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 110907185
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[(2S)-2-cyclopropyl-2-hydroxyethyl]urea
CID 97310846
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea
CID 55743790
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chloro-4-methoxyphenyl)urea
CID 86862774

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 51081435) is 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea is O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1nncs1.
What is the InChIKey of 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is VIFRFXPRSSDIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c22-14(19-15-20-18-11-23-15)17-10-12-5-6-13(16-9-12)21-7-3-1-2-4-8-21/h5-6,9,11H,1-4,7-8,10H2,(H2,17,19,20,22).
What are the key properties of 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 332.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 51081435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).