6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one

C17H15ClN4O2S — CID 176907262

IUPAC6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one
SMILESCn1ncc(Cl)c1CC1c2scnc2C(=O)N1Cc1ccc(O)cc1
InChIInChI=1S/C17H15ClN4O2S/c1-21-13(12(18)7-20-21)6-14-16-15(19-9-25-16)17(24)22(14)8-10-2-4-11(23)5-3-10/h2-5,7,9,14,23H,6,8H2,1H3
InChIKeyUCMJJTHNUZOLFU-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.18
Rot. Bonds4

About 6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one

6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one (PubChem CID 176907262) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one.

Molecular Properties

Compound Name6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one
PubChem CID176907262
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one
SMILESCn1ncc(Cl)c1CC1c2scnc2C(=O)N1Cc1ccc(O)cc1
InChIInChI=1S/C17H15ClN4O2S/c1-21-13(12(18)7-20-21)6-14-16-15(19-9-25-16)17(24)22(14)8-10-2-4-11(23)5-3-10/h2-5,7,9,14,23H,6,8H2,1H3
InChIKeyUCMJJTHNUZOLFU-UHFFFAOYSA-N
XLogP3.18
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-[(6-methoxy-3-pyridinyl)methyl]-3H-isoindol-1-one
CID 176906755
3-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-[(1-methylbenzotriazol-5-yl)methyl]-3H-isoindol-1-one
CID 176907115
2-(2H-benzotriazol-5-ylmethyl)-4-chloro-3-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3H-isoindol-1-one
CID 176906564
2-(2H-benzotriazol-5-ylmethyl)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl]-6-methoxy-3H-isoindol-1-one
CID 176906576
(3S)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-[(E)-3-(1-methyltriazol-4-yl)prop-2-enyl]-3H-isoindol-1-one
CID 176907075
4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150671
3-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-[3-(5-methyl-1H-pyrazol-4-yl)prop-2-ynyl]-3H-isoindol-1-one
CID 176907097
3-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-[(E)-3-(2H-triazol-4-yl)prop-2-enyl]-3H-isoindol-1-one
CID 176907217
2-(2H-benzotriazol-5-ylmethyl)-3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3H-isoindol-1-one
CID 176907094
4-chloro-5-(methoxymethyl)-1-methylpyrazole
CID 19779911
3-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-[[3-hydroxy-3-(nitromethyl)cyclobutyl]methyl]-3H-isoindol-1-one
CID 176906927
2-chloro-4-[[1-methyl-5,8-dioxo-6-(pyridin-2-ylmethyl)-4,6-dihydropyrazolo[5,4-c]azepin-7-yl]methyl]-N-pyridin-2-ylbenzamide
CID 167548226

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one?
The IUPAC name of 6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one (CID 176907262) is 6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one.
What is the SMILES notation for 6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one?
The canonical SMILES for 6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one is Cn1ncc(Cl)c1CC1c2scnc2C(=O)N1Cc1ccc(O)cc1.
What is the InChIKey of 6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one?
The InChIKey is UCMJJTHNUZOLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-21-13(12(18)7-20-21)6-14-16-15(19-9-25-16)17(24)22(14)8-10-2-4-11(23)5-3-10/h2-5,7,9,14,23H,6,8H2,1H3.
What are the key properties of 6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one?
6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one has a molecular weight of 374.85 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-6H-pyrrolo[3,4-d][1,3]thiazol-4-one is sourced from PubChem (CID 176907262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).