1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea

C16H18FN3O2S — CID 75383116

IUPAC1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCC1(C)CC(NC(=O)NCc2cscn2)c2ccc(F)cc2O1
InChIInChI=1S/C16H18FN3O2S/c1-16(2)6-13(12-4-3-10(17)5-14(12)22-16)20-15(21)18-7-11-8-23-9-19-11/h3-5,8-9,13H,6-7H2,1-2H3,(H2,18,20,21)
InChIKeyDSQYZFWYJAXEDV-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.38
Rot. Bonds3

About 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea

1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 75383116) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea
PubChem CID75383116
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCC1(C)CC(NC(=O)NCc2cscn2)c2ccc(F)cc2O1
InChIInChI=1S/C16H18FN3O2S/c1-16(2)6-13(12-4-3-10(17)5-14(12)22-16)20-15(21)18-7-11-8-23-9-19-11/h3-5,8-9,13H,6-7H2,1-2H3,(H2,18,20,21)
InChIKeyDSQYZFWYJAXEDV-UHFFFAOYSA-N
XLogP3.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 124882658
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 139008352
3-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122007018
2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide
CID 119165389
4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 119165291
1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 25264908
7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene
CID 165409830
S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine
CID 165409875
1-[(4R)-7-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]urea
CID 72709178
2-(2-fluorophenyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637040
1-(2-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 11609951
N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 139008973

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea (CID 75383116) is 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea is CC1(C)CC(NC(=O)NCc2cscn2)c2ccc(F)cc2O1.
What is the InChIKey of 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is DSQYZFWYJAXEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-16(2)6-13(12-4-3-10(17)5-14(12)22-16)20-15(21)18-7-11-8-23-9-19-11/h3-5,8-9,13H,6-7H2,1-2H3,(H2,18,20,21).
What are the key properties of 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea?
1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 335.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 75383116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).