5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide

C14H14N4OS — CID 63118342

IUPAC5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H14N4OS/c1-18(6-11-7-20-8-16-11)14(19)13-5-9-4-10(15)2-3-12(9)17-13/h2-5,7-8,17H,6,15H2,1H3
InChIKeyCFBOAFZJOLZVOO-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.48
Rot. Bonds3

About 5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide

5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 63118342) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
PubChem CID63118342
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H14N4OS/c1-18(6-11-7-20-8-16-11)14(19)13-5-9-4-10(15)2-3-12(9)17-13/h2-5,7-8,17H,6,15H2,1H3
InChIKeyCFBOAFZJOLZVOO-UHFFFAOYSA-N
XLogP2.48
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
CID 62058452
ethyl 2-[(5-amino-1H-indole-2-carbonyl)-methylamino]acetate
CID 63118284
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 63877695
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 115913584
2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 62159832
5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63727606
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715
3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 81089891
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349208
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide (CID 63118342) is 5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide is CN(Cc1cscn1)C(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is CFBOAFZJOLZVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-18(6-11-7-20-8-16-11)14(19)13-5-9-4-10(15)2-3-12(9)17-13/h2-5,7-8,17H,6,15H2,1H3.
What are the key properties of 5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide?
5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63118342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).