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

C14H14N4OS — CID 63116779

IUPAC5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide
SMILESCc1csc(CNC(=O)c2c[nH]c3ccc(N)cc23)n1
InChIInChI=1S/C14H14N4OS/c1-8-7-20-13(18-8)6-17-14(19)11-5-16-12-3-2-9(15)4-10(11)12/h2-5,7,16H,6,15H2,1H3,(H,17,19)
InChIKeySUIISBTYRRQEGO-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.45
Rot. Bonds3

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

5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 63116779) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide
PubChem CID63116779
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide
SMILESCc1csc(CNC(=O)c2c[nH]c3ccc(N)cc23)n1
InChIInChI=1S/C14H14N4OS/c1-8-7-20-13(18-8)6-17-14(19)11-5-16-12-3-2-9(15)4-10(11)12/h2-5,7,16H,6,15H2,1H3,(H,17,19)
InChIKeySUIISBTYRRQEGO-UHFFFAOYSA-N
XLogP2.45
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide (CID 63116779) is 5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide is Cc1csc(CNC(=O)c2c[nH]c3ccc(N)cc23)n1.
What is the InChIKey of 5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is SUIISBTYRRQEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-8-7-20-13(18-8)6-17-14(19)11-5-16-12-3-2-9(15)4-10(11)12/h2-5,7,16H,6,15H2,1H3,(H,17,19).
What are the key properties of 5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide?
5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 63116779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).