2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

C18H15N5OS — CID 44540399

IUPAC2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3cnccc3C)cc3[nH]ncc23)cs1
InChIInChI=1S/C18H15N5OS/c1-10-3-4-19-7-13(10)12-5-15(14-8-20-23-16(14)6-12)22-18(24)17-9-25-11(2)21-17/h3-9H,1-2H3,(H,20,23)(H,22,24)
InChIKeyHGBWJEAERJCDGR-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.95
Rot. Bonds3

About 2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 44540399) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID44540399
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3cnccc3C)cc3[nH]ncc23)cs1
InChIInChI=1S/C18H15N5OS/c1-10-3-4-19-7-13(10)12-5-15(14-8-20-23-16(14)6-12)22-18(24)17-9-25-11(2)21-17/h3-9H,1-2H3,(H,20,23)(H,22,24)
InChIKeyHGBWJEAERJCDGR-UHFFFAOYSA-N
XLogP3.95
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (CID 44540399) is 2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cc(-c3cnccc3C)cc3[nH]ncc23)cs1.
What is the InChIKey of 2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is HGBWJEAERJCDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-10-3-4-19-7-13(10)12-5-15(14-8-20-23-16(14)6-12)22-18(24)17-9-25-11(2)21-17/h3-9H,1-2H3,(H,20,23)(H,22,24).
What are the key properties of 2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44540399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).