1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea

C13H15FN4OS — CID 99597160

IUPAC1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
SMILESCC(C)c1csc(CNC(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C13H15FN4OS/c1-8(2)10-7-20-12(17-10)6-16-13(19)18-11-4-3-9(14)5-15-11/h3-5,7-8H,6H2,1-2H3,(H2,15,16,18,19)
InChIKeyTUIVEEVQVPBIEX-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.12
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea

1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 99597160) has the molecular formula C13H15FN4OS and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
PubChem CID99597160
Molecular FormulaC13H15FN4OS
Molecular Weight294.36 g/mol
Exact Mass294.10
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
SMILESCC(C)c1csc(CNC(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C13H15FN4OS/c1-8(2)10-7-20-12(17-10)6-16-13(19)18-11-4-3-9(14)5-15-11/h3-5,7-8H,6H2,1-2H3,(H2,15,16,18,19)
InChIKeyTUIVEEVQVPBIEX-UHFFFAOYSA-N
XLogP3.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 86800062
1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 154739597
2-(2-methoxyphenoxy)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110443308
(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897401
1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99599475
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110443343
2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 82546128
3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride
CID 120502701
1-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(5-fluoro-2-pyridinyl)urea
CID 99595837
1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 154760224
1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 65482274

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea (CID 99597160) is 1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea is CC(C)c1csc(CNC(=O)Nc2ccc(F)cn2)n1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is TUIVEEVQVPBIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-8(2)10-7-20-12(17-10)6-16-13(19)18-11-4-3-9(14)5-15-11/h3-5,7-8H,6H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea?
1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 294.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 99597160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).