1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea

C19H21FN2S — CID 9097432

IUPAC1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea
SMILESC[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H21FN2S/c1-13(15-7-6-14-4-2-3-5-16(14)12-15)21-19(23)22-18-10-8-17(20)9-11-18/h6-13H,2-5H2,1H3,(H2,21,22,23)/t13-/m0/s1
InChIKeyCHLZDGQUSYVHDQ-ZDUSSCGKSA-N
MW328.46 g/mol
LogP4.75
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea

1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea (PubChem CID 9097432) has the molecular formula C19H21FN2S and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea
PubChem CID9097432
Molecular FormulaC19H21FN2S
Molecular Weight328.46 g/mol
Exact Mass328.14
IUPAC Name1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea
SMILESC[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H21FN2S/c1-13(15-7-6-14-4-2-3-5-16(14)12-15)21-19(23)22-18-10-8-17(20)9-11-18/h6-13H,2-5H2,1H3,(H2,21,22,23)/t13-/m0/s1
InChIKeyCHLZDGQUSYVHDQ-ZDUSSCGKSA-N
XLogP4.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea
CID 127072457
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-fluorophenyl)thiourea
CID 78708992
1-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)thiourea
CID 78752939
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 84836162
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea
CID 92512959
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100646658
1-(4-bromophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108869222
1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868681
2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190649
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
N-(4-tert-butylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511276
2-(4-fluorophenoxy)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9396086

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea (CID 9097432) is 1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea is C[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea?
The InChIKey is CHLZDGQUSYVHDQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21FN2S/c1-13(15-7-6-14-4-2-3-5-16(14)12-15)21-19(23)22-18-10-8-17(20)9-11-18/h6-13H,2-5H2,1H3,(H2,21,22,23)/t13-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea?
1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea has a molecular weight of 328.46 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea is sourced from PubChem (CID 9097432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).