1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea

C14H17F2N5OS — CID 56788227

IUPAC1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea
SMILESO=C(NCCc1nccn1C(F)F)NCc1csc(C2CC2)n1
InChIInChI=1S/C14H17F2N5OS/c15-13(16)21-6-5-17-11(21)3-4-18-14(22)19-7-10-8-23-12(20-10)9-1-2-9/h5-6,8-9,13H,1-4,7H2,(H2,18,19,22)
InChIKeyUFKUJRBVRIPSNO-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.65
Rot. Bonds7

About 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea

1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea (PubChem CID 56788227) has the molecular formula C14H17F2N5OS and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea
PubChem CID56788227
Molecular FormulaC14H17F2N5OS
Molecular Weight341.39 g/mol
Exact Mass341.11
IUPAC Name1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea
SMILESO=C(NCCc1nccn1C(F)F)NCc1csc(C2CC2)n1
InChIInChI=1S/C14H17F2N5OS/c15-13(16)21-6-5-17-11(21)3-4-18-14(22)19-7-10-8-23-12(20-10)9-1-2-9/h5-6,8-9,13H,1-4,7H2,(H2,18,19,22)
InChIKeyUFKUJRBVRIPSNO-UHFFFAOYSA-N
XLogP2.65
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea?
The IUPAC name of 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea (CID 56788227) is 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea.
What is the SMILES notation for 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea?
The canonical SMILES for 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea is O=C(NCCc1nccn1C(F)F)NCc1csc(C2CC2)n1.
What is the InChIKey of 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea?
The InChIKey is UFKUJRBVRIPSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5OS/c15-13(16)21-6-5-17-11(21)3-4-18-14(22)19-7-10-8-23-12(20-10)9-1-2-9/h5-6,8-9,13H,1-4,7H2,(H2,18,19,22).
What are the key properties of 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea?
1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea has a molecular weight of 341.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]urea is sourced from PubChem (CID 56788227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).