N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide

C17H13N3OS — CID 52694546

IUPACN-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2nc3ccccc3s2)cc2ccccc21
InChIInChI=1S/C17H13N3OS/c1-20-13-8-4-2-6-11(13)10-14(20)16(21)19-17-18-12-7-3-5-9-15(12)22-17/h2-10H,1H3,(H,18,19,21)
InChIKeyHGIUZRLKCZYICR-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.04
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide

N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide (PubChem CID 52694546) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide
PubChem CID52694546
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2nc3ccccc3s2)cc2ccccc21
InChIInChI=1S/C17H13N3OS/c1-20-13-8-4-2-6-11(13)10-14(20)16(21)19-17-18-12-7-3-5-9-15(12)22-17/h2-10H,1H3,(H,18,19,21)
InChIKeyHGIUZRLKCZYICR-UHFFFAOYSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
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N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
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3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
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N-(1,3-benzothiazol-2-yl)-5-bromo-2,3,4-trimethylbenzamide
CID 23804633
4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355063
N-(1,3-benzothiazol-2-yl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 1019747
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide (CID 52694546) is N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide is Cn1c(C(=O)Nc2nc3ccccc3s2)cc2ccccc21.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide?
The InChIKey is HGIUZRLKCZYICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-20-13-8-4-2-6-11(13)10-14(20)16(21)19-17-18-12-7-3-5-9-15(12)22-17/h2-10H,1H3,(H,18,19,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 52694546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).