1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide

C14H14N4OS — CID 172675100

IUPAC1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2cscn2)c2ccccc21
InChIInChI=1S/C14H14N4OS/c1-18-12-5-3-2-4-11(12)13(17-18)14(19)15-7-6-10-8-20-9-16-10/h2-5,8-9H,6-7H2,1H3,(H,15,19)
InChIKeyWLVBXUMLICFSSW-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.00
Rot. Bonds4

About 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide

1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide (PubChem CID 172675100) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide
PubChem CID172675100
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2cscn2)c2ccccc21
InChIInChI=1S/C14H14N4OS/c1-18-12-5-3-2-4-11(12)13(17-18)14(19)15-7-6-10-8-20-9-16-10/h2-5,8-9H,6-7H2,1H3,(H,15,19)
InChIKeyWLVBXUMLICFSSW-UHFFFAOYSA-N
XLogP2.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide (CID 172675100) is 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide is Cn1nc(C(=O)NCCc2cscn2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide?
The InChIKey is WLVBXUMLICFSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-18-12-5-3-2-4-11(12)13(17-18)14(19)15-7-6-10-8-20-9-16-10/h2-5,8-9H,6-7H2,1H3,(H,15,19).
What are the key properties of 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide?
1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide is sourced from PubChem (CID 172675100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).