(2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

C19H21N5OS — CID 135724608

IUPAC(2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC1CC1
InChIInChI=1S/C19H21N5OS/c1-11(18(25)21-12-6-7-12)26-19-23-22-17(24(19)13-8-9-13)15-10-20-16-5-3-2-4-14(15)16/h2-5,10-13,20H,6-9H2,1H3,(H,21,25)/t11-/m0/s1
InChIKeyANHMCBMJNDKIKH-NSHDSACASA-N
MW367.48 g/mol
LogP3.52
Rot. Bonds6

About (2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

(2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 135724608) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
PubChem CID135724608
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name(2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC1CC1
InChIInChI=1S/C19H21N5OS/c1-11(18(25)21-12-6-7-12)26-19-23-22-17(24(19)13-8-9-13)15-10-20-16-5-3-2-4-14(15)16/h2-5,10-13,20H,6-9H2,1H3,(H,21,25)/t11-/m0/s1
InChIKeyANHMCBMJNDKIKH-NSHDSACASA-N
XLogP3.52
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 135724608) is (2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide is C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The InChIKey is ANHMCBMJNDKIKH-NSHDSACASA-N. The full InChI is InChI=1S/C19H21N5OS/c1-11(18(25)21-12-6-7-12)26-19-23-22-17(24(19)13-8-9-13)15-10-20-16-5-3-2-4-14(15)16/h2-5,10-13,20H,6-9H2,1H3,(H,21,25)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
(2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 367.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 135724608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).