1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea

C16H19N3OS — CID 121166342

IUPAC1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1cccnc1-c1cccs1)NC1CCCC1
InChIInChI=1S/C16H19N3OS/c20-16(19-13-6-1-2-7-13)18-11-12-5-3-9-17-15(12)14-8-4-10-21-14/h3-5,8-10,13H,1-2,6-7,11H2,(H2,18,19,20)
InChIKeyHJYXQQZIXSFISJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.55
Rot. Bonds4

About 1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea

1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea (PubChem CID 121166342) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
PubChem CID121166342
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1cccnc1-c1cccs1)NC1CCCC1
InChIInChI=1S/C16H19N3OS/c20-16(19-13-6-1-2-7-13)18-11-12-5-3-9-17-15(12)14-8-4-10-21-14/h3-5,8-10,13H,1-2,6-7,11H2,(H2,18,19,20)
InChIKeyHJYXQQZIXSFISJ-UHFFFAOYSA-N
XLogP3.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]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

(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
CID 100745825
1-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91625850
(3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 100746069
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide
CID 121166361
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclopropanesulfonamide
CID 121166356
2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide
CID 91625826
3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236
4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 91625766
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea (CID 121166342) is 1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea is O=C(NCc1cccnc1-c1cccs1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea?
The InChIKey is HJYXQQZIXSFISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(19-13-6-1-2-7-13)18-11-12-5-3-9-17-15(12)14-8-4-10-21-14/h3-5,8-10,13H,1-2,6-7,11H2,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea?
1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea has a molecular weight of 301.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 121166342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).