N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide

C17H19N3O2S — CID 71926349

IUPACN-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CC1)C1CSCN1C(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C17H19N3O2S/c21-16(19-8-11-4-5-11)14-9-23-10-20(14)17(22)13-3-1-2-12-6-7-18-15(12)13/h1-3,6-7,11,14,18H,4-5,8-10H2,(H,19,21)
InChIKeySZPXMYUTIURRLF-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.21
Rot. Bonds4

About N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide

N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 71926349) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID71926349
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC NameN-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CC1)C1CSCN1C(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C17H19N3O2S/c21-16(19-8-11-4-5-11)14-9-23-10-20(14)17(22)13-3-1-2-12-6-7-18-15(12)13/h1-3,6-7,11,14,18H,4-5,8-10H2,(H,19,21)
InChIKeySZPXMYUTIURRLF-UHFFFAOYSA-N
XLogP2.21
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 71926349) is N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide is O=C(NCC1CC1)C1CSCN1C(=O)c1cccc2cc[nH]c12.
What is the InChIKey of N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is SZPXMYUTIURRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(19-8-11-4-5-11)14-9-23-10-20(14)17(22)13-3-1-2-12-6-7-18-15(12)13/h1-3,6-7,11,14,18H,4-5,8-10H2,(H,19,21).
What are the key properties of N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide?
N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 71926349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).