1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea

C21H19FN2OS — CID 71882846

IUPAC1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCc1cccc2ccccc12)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C21H19FN2OS/c22-16-8-9-20-18(12-16)19(10-11-26-20)24-21(25)23-13-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,12,19H,10-11,13H2,(H2,23,24,25)
InChIKeyMMSDQBHKVQACOU-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.02
Rot. Bonds3

About 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea

1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea (PubChem CID 71882846) has the molecular formula C21H19FN2OS and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea
PubChem CID71882846
Molecular FormulaC21H19FN2OS
Molecular Weight366.46 g/mol
Exact Mass366.12
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCc1cccc2ccccc12)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C21H19FN2OS/c22-16-8-9-20-18(12-16)19(10-11-26-20)24-21(25)23-13-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,12,19H,10-11,13H2,(H2,23,24,25)
InChIKeyMMSDQBHKVQACOU-UHFFFAOYSA-N
XLogP5.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Urea, N,N'-bis(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-
CID 3058254
Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-
CID 3058250
Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-(phenylmethyl)-
CID 3058252
Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1)
CID 3058255
Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-nonyl-
CID 3058251
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 42952705
1-(Naphthalen-1-ylmethyl)-3-(1-(thiophen-2-yl)propan-2-yl)urea
CID 45504427
1-(naphthalen-1-ylmethyl)-3-((4-(phenylthio)tetrahydro-2H-pyran-4-yl)methyl)urea
CID 72717033
1-(3,4-Dihydro-2h-thiochromen-4-yl)-3-(2-fluoroethyl)urea
CID 274897
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 18552358
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 45873948
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 71898533

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea (CID 71882846) is 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea is O=C(NCc1cccc2ccccc12)NC1CCSc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is MMSDQBHKVQACOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2OS/c22-16-8-9-20-18(12-16)19(10-11-26-20)24-21(25)23-13-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,12,19H,10-11,13H2,(H2,23,24,25).
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea?
1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 366.46 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 71882846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).