1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea

C18H23FN4O2S — CID 146450693

IUPAC1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cc(F)cc(C(C)C)c1NC(=O)N=S(N)(=O)c1cccnc1
InChIInChI=1S/C18H23FN4O2S/c1-11(2)15-8-13(19)9-16(12(3)4)17(15)22-18(24)23-26(20,25)14-6-5-7-21-10-14/h5-12H,1-4H3,(H3,20,22,23,24,25)
InChIKeySFCBXNUABDDMLP-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.40
Rot. Bonds4

About 1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea

1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea (PubChem CID 146450693) has the molecular formula C18H23FN4O2S and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea
PubChem CID146450693
Molecular FormulaC18H23FN4O2S
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC Name1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cc(F)cc(C(C)C)c1NC(=O)N=S(N)(=O)c1cccnc1
InChIInChI=1S/C18H23FN4O2S/c1-11(2)15-8-13(19)9-16(12(3)4)17(15)22-18(24)23-26(20,25)14-6-5-7-21-10-14/h5-12H,1-4H3,(H3,20,22,23,24,25)
InChIKeySFCBXNUABDDMLP-UHFFFAOYSA-N
XLogP4.40
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]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-[amino-[4-[(dimethylamino)methyl]phenyl]-oxo-λ6-sulfanylidene]-3-[4-(2-methylpyrimidin-5-yl)-2,6-di(propan-2-yl)phenyl]urea
CID 146515238
1-[amino-(4-ethylphenyl)-oxo-λ6-sulfanylidene]-3-[4-(1-methylpyrazol-3-yl)-2,6-di(propan-2-yl)phenyl]urea
CID 146611481
1-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamothioyl]-3-sulfanylurea
CID 156695389
N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010761
ethane;[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;molecular hydrogen
CID 153396054
1-[amino-[3-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]-3-[4-cyano-2,6-di(propan-2-yl)phenyl]urea
CID 137453039
1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[4-(methylideneamino)-2,6-di(propan-2-yl)phenyl]urea
CID 146611456
1-[amino-[4-[(dimethylamino)methyl]phenyl]-oxo-λ6-sulfanylidene]-3-[4-(3-chloro-4-methylphenyl)-2,6-di(propan-2-yl)phenyl]urea
CID 142522703
ethyl N'-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamothioyl]carbamimidothioate
CID 151894787
1-[amino-[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-oxo-λ6-sulfanylidene]-3-[4-(difluoromethoxy)-2-methyl-6-propan-2-ylphenyl]urea
CID 146515065
1-[amino-[5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]-3-[4-cyano-2,6-di(propan-2-yl)phenyl]urea
CID 146450733
N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865788

Frequently Asked Questions

What is the IUPAC name of 1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea (CID 146450693) is 1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cc(F)cc(C(C)C)c1NC(=O)N=S(N)(=O)c1cccnc1.
What is the InChIKey of 1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is SFCBXNUABDDMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2S/c1-11(2)15-8-13(19)9-16(12(3)4)17(15)22-18(24)23-26(20,25)14-6-5-7-21-10-14/h5-12H,1-4H3,(H3,20,22,23,24,25).
What are the key properties of 1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?
1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 378.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(amino-oxo-pyridin-3-yl-λ6-sulfanylidene)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 146450693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).