1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea

C19H23F2N3OS — CID 126788519

IUPAC1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
SMILESCCc1cnc(CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)s1
InChIInChI=1S/C19H23F2N3OS/c1-2-16-10-22-18(26-16)11-23-19(25)24(15-5-3-4-6-15)12-13-9-14(20)7-8-17(13)21/h7-10,15H,2-6,11-12H2,1H3,(H,23,25)
InChIKeyWIHRXEWZWWXVKS-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.64
Rot. Bonds6

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

1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 126788519) has the molecular formula C19H23F2N3OS and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID126788519
Molecular FormulaC19H23F2N3OS
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
SMILESCCc1cnc(CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)s1
InChIInChI=1S/C19H23F2N3OS/c1-2-16-10-22-18(26-16)11-23-19(25)24(15-5-3-4-6-15)12-13-9-14(20)7-8-17(13)21/h7-10,15H,2-6,11-12H2,1H3,(H,23,25)
InChIKeyWIHRXEWZWWXVKS-UHFFFAOYSA-N
XLogP4.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea (CID 126788519) is 1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea is CCc1cnc(CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)s1.
What is the InChIKey of 1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is WIHRXEWZWWXVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3OS/c1-2-16-10-22-18(26-16)11-23-19(25)24(15-5-3-4-6-15)12-13-9-14(20)7-8-17(13)21/h7-10,15H,2-6,11-12H2,1H3,(H,23,25).
What are the key properties of 1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea?
1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 379.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-[(2,5-difluorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 126788519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).