N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide

C19H21N3OS — CID 77094540

IUPACN-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide
SMILESCc1nc(C)c(CC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)s1
InChIInChI=1S/C19H21N3OS/c1-12-18(24-13(2)21-12)10-19(23)22(16-4-5-16)11-14-3-6-17-15(9-14)7-8-20-17/h3,6-9,16,20H,4-5,10-11H2,1-2H3
InChIKeyHWYGQIFNSSLSAM-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.97
Rot. Bonds5

About N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide

N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide (PubChem CID 77094540) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide
PubChem CID77094540
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide
SMILESCc1nc(C)c(CC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)s1
InChIInChI=1S/C19H21N3OS/c1-12-18(24-13(2)21-12)10-19(23)22(16-4-5-16)11-14-3-6-17-15(9-14)7-8-20-17/h3,6-9,16,20H,4-5,10-11H2,1-2H3
InChIKeyHWYGQIFNSSLSAM-UHFFFAOYSA-N
XLogP3.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide (CID 77094540) is N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide is Cc1nc(C)c(CC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide?
The InChIKey is HWYGQIFNSSLSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-12-18(24-13(2)21-12)10-19(23)22(16-4-5-16)11-14-3-6-17-15(9-14)7-8-20-17/h3,6-9,16,20H,4-5,10-11H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide?
N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide is sourced from PubChem (CID 77094540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).