1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

C16H16FN5OS — CID 95267653

IUPAC1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc([C@H](C)NC(=O)Nc2ccc(-n3cccn3)c(F)c2)n1
InChIInChI=1S/C16H16FN5OS/c1-10-9-24-15(19-10)11(2)20-16(23)21-12-4-5-14(13(17)8-12)22-7-3-6-18-22/h3-9,11H,1-2H3,(H2,20,21,23)/t11-/m0/s1
InChIKeyKSPHONJNDOJRDN-NSHDSACASA-N
MW345.40 g/mol
LogP3.66
Rot. Bonds4

About 1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 95267653) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID95267653
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC Name1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc([C@H](C)NC(=O)Nc2ccc(-n3cccn3)c(F)c2)n1
InChIInChI=1S/C16H16FN5OS/c1-10-9-24-15(19-10)11(2)20-16(23)21-12-4-5-14(13(17)8-12)22-7-3-6-18-22/h3-9,11H,1-2H3,(H2,20,21,23)/t11-/m0/s1
InChIKeyKSPHONJNDOJRDN-NSHDSACASA-N
XLogP3.66
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]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

N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-[(1R)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethyl]urea
CID 166294886
N-(3-fluoro-4-pyrazol-1-ylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55820396
4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122078045
2-fluoro-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 113319865
1-(2-tert-butylpyrimidin-5-yl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313485
1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 56824401
3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 115646115
1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 94962183
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 119859368

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 95267653) is 1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1csc([C@H](C)NC(=O)Nc2ccc(-n3cccn3)c(F)c2)n1.
What is the InChIKey of 1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is KSPHONJNDOJRDN-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-10-9-24-15(19-10)11(2)20-16(23)21-12-4-5-14(13(17)8-12)22-7-3-6-18-22/h3-9,11H,1-2H3,(H2,20,21,23)/t11-/m0/s1.
What are the key properties of 1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 345.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 95267653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).