N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide

C17H16FN3OS — CID 119071571

IUPACN-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)N(Cc2nccs2)C2CC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H16FN3OS/c1-10-13-8-11(18)2-5-14(13)20-16(10)17(22)21(12-3-4-12)9-15-19-6-7-23-15/h2,5-8,12,20H,3-4,9H2,1H3
InChIKeyDAXTUZYKUHUGDM-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.88
Rot. Bonds4

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

N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 119071571) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID119071571
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC NameN-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)N(Cc2nccs2)C2CC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H16FN3OS/c1-10-13-8-11(18)2-5-14(13)20-16(10)17(22)21(12-3-4-12)9-15-19-6-7-23-15/h2,5-8,12,20H,3-4,9H2,1H3
InChIKeyDAXTUZYKUHUGDM-UHFFFAOYSA-N
XLogP3.88
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide (CID 119071571) is N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide is Cc1c(C(=O)N(Cc2nccs2)C2CC2)[nH]c2ccc(F)cc12.
What is the InChIKey of N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is DAXTUZYKUHUGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-10-13-8-11(18)2-5-14(13)20-16(10)17(22)21(12-3-4-12)9-15-19-6-7-23-15/h2,5-8,12,20H,3-4,9H2,1H3.
What are the key properties of N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide?
N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 119071571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).