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N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C24H25ClN6O2S2 — CID 140783709

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN(C)C(=O)C1CCN(c2nc3sc(C(=O)Nc4ccc(-c5nn(C)cc5Cl)cc4)cc3s2)CC1
InChIInChI=1S/C24H25ClN6O2S2/c1-29(2)23(33)15-8-10-31(11-9-15)24-27-22-19(35-24)12-18(34-22)21(32)26-16-6-4-14(5-7-16)20-17(25)13-30(3)28-20/h4-7,12-13,15H,8-11H2,1-3H3,(H,26,32)
InChIKeyRHLXHYLBSSWRCS-UHFFFAOYSA-N
MW529.09 g/mol
LogP4.97
Rot. Bonds5

About N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide

N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 140783709) has the molecular formula C24H25ClN6O2S2 and a molecular weight of 529.09 g/mol. Its IUPAC name is N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID140783709
Molecular FormulaC24H25ClN6O2S2
Molecular Weight529.09 g/mol
Exact Mass528.12
IUPAC NameN-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN(C)C(=O)C1CCN(c2nc3sc(C(=O)Nc4ccc(-c5nn(C)cc5Cl)cc4)cc3s2)CC1
InChIInChI=1S/C24H25ClN6O2S2/c1-29(2)23(33)15-8-10-31(11-9-15)24-27-22-19(35-24)12-18(34-22)21(32)26-16-6-4-14(5-7-16)20-17(25)13-30(3)28-20/h4-7,12-13,15H,8-11H2,1-3H3,(H,26,32)
InChIKeyRHLXHYLBSSWRCS-UHFFFAOYSA-N
XLogP4.97
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.09
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 140783709) is N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide is CN(C)C(=O)C1CCN(c2nc3sc(C(=O)Nc4ccc(-c5nn(C)cc5Cl)cc4)cc3s2)CC1.
What is the InChIKey of N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is RHLXHYLBSSWRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2S2/c1-29(2)23(33)15-8-10-31(11-9-15)24-27-22-19(35-24)12-18(34-22)21(32)26-16-6-4-14(5-7-16)20-17(25)13-30(3)28-20/h4-7,12-13,15H,8-11H2,1-3H3,(H,26,32).
What are the key properties of N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 529.09 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 140783709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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