2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide

C18H23N3OS — CID 95143146

IUPAC2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@@H](C)NC(=O)CN(Cc2cncs2)C2CC2)cc1
InChIInChI=1S/C18H23N3OS/c1-13-3-5-15(6-4-13)14(2)20-18(22)11-21(16-7-8-16)10-17-9-19-12-23-17/h3-6,9,12,14,16H,7-8,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyISTFYRGPASEAIO-CQSZACIVSA-N
MW329.47 g/mol
LogP3.29
Rot. Bonds7

About 2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide

2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 95143146) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID95143146
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@@H](C)NC(=O)CN(Cc2cncs2)C2CC2)cc1
InChIInChI=1S/C18H23N3OS/c1-13-3-5-15(6-4-13)14(2)20-18(22)11-21(16-7-8-16)10-17-9-19-12-23-17/h3-6,9,12,14,16H,7-8,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyISTFYRGPASEAIO-CQSZACIVSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide (CID 95143146) is 2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@@H](C)NC(=O)CN(Cc2cncs2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is ISTFYRGPASEAIO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-3-5-15(6-4-13)14(2)20-18(22)11-21(16-7-8-16)10-17-9-19-12-23-17/h3-6,9,12,14,16H,7-8,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide?
2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 95143146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).