1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea

C16H21FN2OS — CID 94453338

IUPAC1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
SMILESO=C(NC1CCCCC1)N[C@@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C16H21FN2OS/c17-11-6-7-15-13(10-11)14(8-9-21-15)19-16(20)18-12-4-2-1-3-5-12/h6-7,10,12,14H,1-5,8-9H2,(H2,18,19,20)/t14-/m1/s1
InChIKeyVFNFSBWJNCVEEL-CQSZACIVSA-N
MW308.42 g/mol
LogP3.99
Rot. Bonds2

About 1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea

1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea (PubChem CID 94453338) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
PubChem CID94453338
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
SMILESO=C(NC1CCCCC1)N[C@@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C16H21FN2OS/c17-11-6-7-15-13(10-11)14(8-9-21-15)19-16(20)18-12-4-2-1-3-5-12/h6-7,10,12,14H,1-5,8-9H2,(H2,18,19,20)/t14-/m1/s1
InChIKeyVFNFSBWJNCVEEL-CQSZACIVSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]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

1-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 94044546
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
2-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60940880
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43703539
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
CID 26468733
1-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
CID 81179375
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenoxy)acetamide
CID 51247442
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxypropanamide
CID 113225578
tert-butyl N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamate
CID 63790273
2,2,3,3-tetrafluoro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 103732268
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 47121350
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-hydroxyphenyl)acetamide
CID 78820326

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea (CID 94453338) is 1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea is O=C(NC1CCCCC1)N[C@@H]1CCSc2ccc(F)cc21.
What is the InChIKey of 1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea?
The InChIKey is VFNFSBWJNCVEEL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21FN2OS/c17-11-6-7-15-13(10-11)14(8-9-21-15)19-16(20)18-12-4-2-1-3-5-12/h6-7,10,12,14H,1-5,8-9H2,(H2,18,19,20)/t14-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea?
1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea has a molecular weight of 308.42 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea is sourced from PubChem (CID 94453338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).