1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea

C16H17FN4OS — CID 75404048

IUPAC1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea
SMILESCc1cn2c(CN(C)C(=O)Nc3ccccc3F)c(C)nc2s1
InChIInChI=1S/C16H17FN4OS/c1-10-8-21-14(11(2)18-16(21)23-10)9-20(3)15(22)19-13-7-5-4-6-12(13)17/h4-8H,9H2,1-3H3,(H,19,22)
InChIKeyMDLNWRQWTKECHW-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.82
Rot. Bonds3

About 1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea

1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea (PubChem CID 75404048) has the molecular formula C16H17FN4OS and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea
PubChem CID75404048
Molecular FormulaC16H17FN4OS
Molecular Weight332.40 g/mol
Exact Mass332.11
IUPAC Name1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea
SMILESCc1cn2c(CN(C)C(=O)Nc3ccccc3F)c(C)nc2s1
InChIInChI=1S/C16H17FN4OS/c1-10-8-21-14(11(2)18-16(21)23-10)9-20(3)15(22)19-13-7-5-4-6-12(13)17/h4-8H,9H2,1-3H3,(H,19,22)
InChIKeyMDLNWRQWTKECHW-UHFFFAOYSA-N
XLogP3.82
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea?
The IUPAC name of 1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea (CID 75404048) is 1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea.
What is the SMILES notation for 1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea?
The canonical SMILES for 1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea is Cc1cn2c(CN(C)C(=O)Nc3ccccc3F)c(C)nc2s1.
What is the InChIKey of 1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea?
The InChIKey is MDLNWRQWTKECHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4OS/c1-10-8-21-14(11(2)18-16(21)23-10)9-20(3)15(22)19-13-7-5-4-6-12(13)17/h4-8H,9H2,1-3H3,(H,19,22).
What are the key properties of 1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea?
1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea has a molecular weight of 332.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea is sourced from PubChem (CID 75404048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).