1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C14H21F2N3O2S — CID 167793240

IUPAC1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOC1(C(F)(F)CNC(=O)NCc2cnc(C)s2)CCCC1
InChIInChI=1S/C14H21F2N3O2S/c1-10-17-7-11(22-10)8-18-12(20)19-9-14(15,16)13(21-2)5-3-4-6-13/h7H,3-6,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyPCAHXUYQCKWUFF-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.85
Rot. Bonds6

About 1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 167793240) has the molecular formula C14H21F2N3O2S and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID167793240
Molecular FormulaC14H21F2N3O2S
Molecular Weight333.40 g/mol
Exact Mass333.13
IUPAC Name1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOC1(C(F)(F)CNC(=O)NCc2cnc(C)s2)CCCC1
InChIInChI=1S/C14H21F2N3O2S/c1-10-17-7-11(22-10)8-18-12(20)19-9-14(15,16)13(21-2)5-3-4-6-13/h7H,3-6,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyPCAHXUYQCKWUFF-UHFFFAOYSA-N
XLogP2.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 167793240) is 1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is COC1(C(F)(F)CNC(=O)NCc2cnc(C)s2)CCCC1.
What is the InChIKey of 1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is PCAHXUYQCKWUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O2S/c1-10-17-7-11(22-10)8-18-12(20)19-9-14(15,16)13(21-2)5-3-4-6-13/h7H,3-6,8-9H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 333.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-2-(1-methoxycyclopentyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 167793240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).