N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide

C15H15N3OS — CID 63822837

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1ncsc1CN(C)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H15N3OS/c1-10-14(20-9-16-10)8-18(2)15(19)13-7-11-5-3-4-6-12(11)17-13/h3-7,9,17H,8H2,1-2H3
InChIKeyZAVXTWYQNXHPHA-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.21
Rot. Bonds3

About N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 63822837) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide
PubChem CID63822837
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1ncsc1CN(C)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H15N3OS/c1-10-14(20-9-16-10)8-18(2)15(19)13-7-11-5-3-4-6-12(11)17-13/h3-7,9,17H,8H2,1-2H3
InChIKeyZAVXTWYQNXHPHA-UHFFFAOYSA-N
XLogP3.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
CID 115611586
4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63821276
N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 29217686
CID 156649576
CID 156649576
2-(2-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78952141
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 104742351
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide
CID 26444163
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685501
4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 82832587
2-bromo-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55261585
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 9374474

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide (CID 63822837) is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide is Cc1ncsc1CN(C)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is ZAVXTWYQNXHPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-14(20-9-16-10)8-18(2)15(19)13-7-11-5-3-4-6-12(11)17-13/h3-7,9,17H,8H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide?
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 63822837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).