1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea

C19H20FN5OS — CID 146089566

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea
SMILESCc1cc(NC(=O)NC2CCCc3sc(-c4ccc(F)cc4)nc32)n(C)n1
InChIInChI=1S/C19H20FN5OS/c1-11-10-16(25(2)24-11)22-19(26)21-14-4-3-5-15-17(14)23-18(27-15)12-6-8-13(20)9-7-12/h6-10,14H,3-5H2,1-2H3,(H2,21,22,26)
InChIKeyPHPNMOFYCHEMKY-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.19
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea (PubChem CID 146089566) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea
PubChem CID146089566
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea
SMILESCc1cc(NC(=O)NC2CCCc3sc(-c4ccc(F)cc4)nc32)n(C)n1
InChIInChI=1S/C19H20FN5OS/c1-11-10-16(25(2)24-11)22-19(26)21-14-4-3-5-15-17(14)23-18(27-15)12-6-8-13(20)9-7-12/h6-10,14H,3-5H2,1-2H3,(H2,21,22,26)
InChIKeyPHPNMOFYCHEMKY-UHFFFAOYSA-N
XLogP4.19
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-amino-1-ethyl-3-(2-fluorophenyl)-1H-pyrazol-4-yl)-N-(R)-sec-butylbenzo[d]thiazol-2-amine
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US10323022, Example 513
CID 118128643
1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
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3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
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3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
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CID 25281893
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CID 30854337
1-(1-Methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 71973689
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CID 72864485
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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea (CID 146089566) is 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea is Cc1cc(NC(=O)NC2CCCc3sc(-c4ccc(F)cc4)nc32)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea?
The InChIKey is PHPNMOFYCHEMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-11-10-16(25(2)24-11)22-19(26)21-14-4-3-5-15-17(14)23-18(27-15)12-6-8-13(20)9-7-12/h6-10,14H,3-5H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea has a molecular weight of 385.47 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea is sourced from PubChem (CID 146089566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).