N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C19H21N3OS — CID 70784252

IUPACN-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C19H21N3OS/c1-13-18(24-12-21-13)6-7-19(23)22(16-3-4-16)11-14-2-5-17-15(10-14)8-9-20-17/h2,5,8-10,12,16,20H,3-4,6-7,11H2,1H3
InChIKeyQHORGPUVUURLCE-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.06
Rot. Bonds6

About N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 70784252) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID70784252
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C19H21N3OS/c1-13-18(24-12-21-13)6-7-19(23)22(16-3-4-16)11-14-2-5-17-15(10-14)8-9-20-17/h2,5,8-10,12,16,20H,3-4,6-7,11H2,1H3
InChIKeyQHORGPUVUURLCE-UHFFFAOYSA-N
XLogP4.06
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 70784252) is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is QHORGPUVUURLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-18(24-12-21-13)6-7-19(23)22(16-3-4-16)11-14-2-5-17-15(10-14)8-9-20-17/h2,5,8-10,12,16,20H,3-4,6-7,11H2,1H3.
What are the key properties of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 339.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 70784252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).