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

C13H12N4OS — CID 56649139

IUPACN-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
SMILESNCc1csc(NC(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C13H12N4OS/c14-6-9-7-19-13(15-9)17-12(18)11-5-8-3-1-2-4-10(8)16-11/h1-5,7,16H,6,14H2,(H,15,17,18)
InChIKeyFENTXQPZAHIYPQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.34
Rot. Bonds3

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

N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide (PubChem CID 56649139) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
PubChem CID56649139
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
SMILESNCc1csc(NC(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C13H12N4OS/c14-6-9-7-19-13(15-9)17-12(18)11-5-8-3-1-2-4-10(8)16-11/h1-5,7,16H,6,14H2,(H,15,17,18)
InChIKeyFENTXQPZAHIYPQ-UHFFFAOYSA-N
XLogP2.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide (CID 56649139) is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide is NCc1csc(NC(=O)c2cc3ccccc3[nH]2)n1.
What is the InChIKey of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The InChIKey is FENTXQPZAHIYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c14-6-9-7-19-13(15-9)17-12(18)11-5-8-3-1-2-4-10(8)16-11/h1-5,7,16H,6,14H2,(H,15,17,18).
What are the key properties of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 56649139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).