1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea

C15H18ClN5OS — CID 75403796

IUPAC1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea
SMILESO=C(NNc1ccc(Cl)nn1)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C15H18ClN5OS/c16-12-7-8-13(19-18-12)20-21-15(22)17-14(10-4-1-2-5-10)11-6-3-9-23-11/h3,6-10,14H,1-2,4-5H2,(H,19,20)(H2,17,21,22)
InChIKeySOBPXXFXGLCZBD-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.75
Rot. Bonds5

About 1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea

1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea (PubChem CID 75403796) has the molecular formula C15H18ClN5OS and a molecular weight of 351.86 g/mol. Its IUPAC name is 1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea
PubChem CID75403796
Molecular FormulaC15H18ClN5OS
Molecular Weight351.86 g/mol
Exact Mass351.09
IUPAC Name1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea
SMILESO=C(NNc1ccc(Cl)nn1)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C15H18ClN5OS/c16-12-7-8-13(19-18-12)20-21-15(22)17-14(10-4-1-2-5-10)11-6-3-9-23-11/h3,6-10,14H,1-2,4-5H2,(H,19,20)(H2,17,21,22)
InChIKeySOBPXXFXGLCZBD-UHFFFAOYSA-N
XLogP3.75
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
CID 94120635
4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81228997
2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide
CID 55689684
1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 71941757
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
N-[cyclopentyl(thiophen-2-yl)methyl]-2-methoxypropanamide
CID 47307968
N-[cyclopentyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 43697912
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515
2-(tert-butylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 78987130

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea?
The IUPAC name of 1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea (CID 75403796) is 1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea is O=C(NNc1ccc(Cl)nn1)NC(c1cccs1)C1CCCC1.
What is the InChIKey of 1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea?
The InChIKey is SOBPXXFXGLCZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5OS/c16-12-7-8-13(19-18-12)20-21-15(22)17-14(10-4-1-2-5-10)11-6-3-9-23-11/h3,6-10,14H,1-2,4-5H2,(H,19,20)(H2,17,21,22).
What are the key properties of 1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea?
1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea has a molecular weight of 351.86 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea is sourced from PubChem (CID 75403796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).