(5-fluoro-2-propan-2-ylanilino)thiourea

C10H14FN3S — CID 141494726

IUPAC(5-fluoro-2-propan-2-ylanilino)thiourea
SMILESCC(C)c1ccc(F)cc1NNC(N)=S
InChIInChI=1S/C10H14FN3S/c1-6(2)8-4-3-7(11)5-9(8)13-14-10(12)15/h3-6,13H,1-2H3,(H3,12,14,15)
InChIKeyJPERNUVGTPFASM-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.11
Rot. Bonds3

About (5-fluoro-2-propan-2-ylanilino)thiourea

(5-fluoro-2-propan-2-ylanilino)thiourea (PubChem CID 141494726) has the molecular formula C10H14FN3S and a molecular weight of 227.31 g/mol. Its IUPAC name is (5-fluoro-2-propan-2-ylanilino)thiourea.

Molecular Properties

Compound Name(5-fluoro-2-propan-2-ylanilino)thiourea
PubChem CID141494726
Molecular FormulaC10H14FN3S
Molecular Weight227.31 g/mol
Exact Mass227.09
IUPAC Name(5-fluoro-2-propan-2-ylanilino)thiourea
SMILESCC(C)c1ccc(F)cc1NNC(N)=S
InChIInChI=1S/C10H14FN3S/c1-6(2)8-4-3-7(11)5-9(8)13-14-10(12)15/h3-6,13H,1-2H3,(H3,12,14,15)
InChIKeyJPERNUVGTPFASM-UHFFFAOYSA-N
XLogP2.11
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoroanilino)thiourea
CID 1482872
(2-ethoxy-5-fluorophenyl)thiourea
CID 169358343
(4-fluoro-2-methylphenyl)thiourea
CID 28888222
2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
CID 58278987
5-fluoro-N-methyl-2-propan-2-ylbenzamide
CID 154975628
methyl 2-(2-carbamothioyl-4-fluoroanilino)propanoate
CID 63674729
1-(2-bromo-5-fluorophenyl)-3-propan-2-ylthiourea
CID 103750581
1-(2,4-difluoroanilino)-3-methylthiourea
CID 8657917
1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol
CID 105465988
N-(2-amino-5-fluorophenyl)-2-methylpropanamide
CID 63257469
N-[1-(2-chloro-4-fluorophenyl)ethyl]methanethioamide
CID 57281551
2-[1-(2,4-dichlorophenyl)ethylamino]-5-fluorobenzenecarbothioamide
CID 63674541

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-propan-2-ylanilino)thiourea?
The IUPAC name of (5-fluoro-2-propan-2-ylanilino)thiourea (CID 141494726) is (5-fluoro-2-propan-2-ylanilino)thiourea.
What is the SMILES notation for (5-fluoro-2-propan-2-ylanilino)thiourea?
The canonical SMILES for (5-fluoro-2-propan-2-ylanilino)thiourea is CC(C)c1ccc(F)cc1NNC(N)=S.
What is the InChIKey of (5-fluoro-2-propan-2-ylanilino)thiourea?
The InChIKey is JPERNUVGTPFASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3S/c1-6(2)8-4-3-7(11)5-9(8)13-14-10(12)15/h3-6,13H,1-2H3,(H3,12,14,15).
What are the key properties of (5-fluoro-2-propan-2-ylanilino)thiourea?
(5-fluoro-2-propan-2-ylanilino)thiourea has a molecular weight of 227.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-propan-2-ylanilino)thiourea is sourced from PubChem (CID 141494726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).