N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide

C15H13N3OS — CID 63718087

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H13N3OS/c19-14(11-3-4-12-10(7-11)5-6-16-12)18-15-17-13(8-20-15)9-1-2-9/h3-9,16H,1-2H2,(H,17,18,19)
InChIKeyKXFBNIRLMLBNFS-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.75
Rot. Bonds3

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

N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide (PubChem CID 63718087) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide
PubChem CID63718087
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H13N3OS/c19-14(11-3-4-12-10(7-11)5-6-16-12)18-15-17-13(8-20-15)9-1-2-9/h3-9,16H,1-2H2,(H,17,18,19)
InChIKeyKXFBNIRLMLBNFS-UHFFFAOYSA-N
XLogP3.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide (CID 63718087) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide is O=C(Nc1nc(C2CC2)cs1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide?
The InChIKey is KXFBNIRLMLBNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-14(11-3-4-12-10(7-11)5-6-16-12)18-15-17-13(8-20-15)9-1-2-9/h3-9,16H,1-2H2,(H,17,18,19).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 63718087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).