3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C24H19N5O2S2 — CID 1468101

IUPAC3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H19N5O2S2/c1-14-18-13-19(32-23(18)29(28-14)17-11-7-4-8-12-17)21(30)27-24-25-15(2)20(33-24)22(31)26-16-9-5-3-6-10-16/h3-13H,1-2H3,(H,26,31)(H,25,27,30)
InChIKeyGYGHPAULYFSBFX-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.66
Rot. Bonds5

About 3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 1468101) has the molecular formula C24H19N5O2S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID1468101
Molecular FormulaC24H19N5O2S2
Molecular Weight473.58 g/mol
Exact Mass473.10
IUPAC Name3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H19N5O2S2/c1-14-18-13-19(32-23(18)29(28-14)17-11-7-4-8-12-17)21(30)27-24-25-15(2)20(33-24)22(31)26-16-9-5-3-6-10-16/h3-13H,1-2H3,(H,26,31)(H,25,27,30)
InChIKeyGYGHPAULYFSBFX-UHFFFAOYSA-N
XLogP5.66
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 1468101) is 3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is GYGHPAULYFSBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S2/c1-14-18-13-19(32-23(18)29(28-14)17-11-7-4-8-12-17)21(30)27-24-25-15(2)20(33-24)22(31)26-16-9-5-3-6-10-16/h3-13H,1-2H3,(H,26,31)(H,25,27,30).
What are the key properties of 3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 1468101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).