1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea

C22H23N5O2S — CID 2997967

IUPAC1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
SMILESCc1c(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H23N5O2S/c1-15-14-23-22(30-15)26(21(29)24-17-10-6-4-7-11-17)19-16(2)25(3)27(20(19)28)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3,(H,24,29)
InChIKeyIMCWXXOAXKYHGZ-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.01
Rot. Bonds3

About 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea (PubChem CID 2997967) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
PubChem CID2997967
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
SMILESCc1c(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H23N5O2S/c1-15-14-23-22(30-15)26(21(29)24-17-10-6-4-7-11-17)19-16(2)25(3)27(20(19)28)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3,(H,24,29)
InChIKeyIMCWXXOAXKYHGZ-UHFFFAOYSA-N
XLogP4.01
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-{[ethyl(4-Fluorophenyl)amino]methyl}-N,2-Dimethyl-5-Oxo-5h-[1,3]thiazolo[3,2-A]pyrimidine-3-Carboxamide
CID 118017587
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenylurea
CID 735751
1,5-Dimethyl-4-[((2Z)-4-methyl-3-phenyl-1,3-thiazol-2(3H)-ylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 979829
N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methyl-N-phenylurea
CID 2945312
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135532255
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[4-(methylthio)phenyl]urea
CID 285404
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CID 1224972
N-ethyl-7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438475
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N,N-diphenylacetamide
CID 1296709
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1506593
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CID 16332728
1-(4-chlorophenyl)-3-(1-(4,5-dihydrothiazol-2-yl)-3-isopropyl-2-methyl-5-oxo-2,5-dihydro-1H-pyrazol-4-yl)urea
CID 44413507

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea (CID 2997967) is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The canonical SMILES for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea is Cc1c(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The InChIKey is IMCWXXOAXKYHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-15-14-23-22(30-15)26(21(29)24-17-10-6-4-7-11-17)19-16(2)25(3)27(20(19)28)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3,(H,24,29).
What are the key properties of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea has a molecular weight of 421.53 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea is sourced from PubChem (CID 2997967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).