1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea

C14H17FN4OS — CID 71978971

IUPAC1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESCN(CCNC(=O)Nc1nccs1)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN4OS/c1-19(10-11-2-4-12(15)5-3-11)8-6-16-13(20)18-14-17-7-9-21-14/h2-5,7,9H,6,8,10H2,1H3,(H2,16,17,18,20)
InChIKeyLHCATIXRGQJIBU-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.54
Rot. Bonds6

About 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea

1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 71978971) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID71978971
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESCN(CCNC(=O)Nc1nccs1)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN4OS/c1-19(10-11-2-4-12(15)5-3-11)8-6-16-13(20)18-14-17-7-9-21-14/h2-5,7,9H,6,8,10H2,1H3,(H2,16,17,18,20)
InChIKeyLHCATIXRGQJIBU-UHFFFAOYSA-N
XLogP2.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea (CID 71978971) is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea is CN(CCNC(=O)Nc1nccs1)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is LHCATIXRGQJIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-19(10-11-2-4-12(15)5-3-11)8-6-16-13(20)18-14-17-7-9-21-14/h2-5,7,9H,6,8,10H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 308.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71978971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).