2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

C17H21N3O2S — CID 110906790

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CN(CCO)C3CC3)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12-2-4-13(5-3-12)15-11-23-17(18-15)19-16(22)10-20(8-9-21)14-6-7-14/h2-5,11,14,21H,6-10H2,1H3,(H,18,19,22)
InChIKeyLLELRDIGEGHUFG-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.51
Rot. Bonds7

About 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 110906790) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID110906790
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CN(CCO)C3CC3)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12-2-4-13(5-3-12)15-11-23-17(18-15)19-16(22)10-20(8-9-21)14-6-7-14/h2-5,11,14,21H,6-10H2,1H3,(H,18,19,22)
InChIKeyLLELRDIGEGHUFG-UHFFFAOYSA-N
XLogP2.51
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 110906790) is 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)CN(CCO)C3CC3)n2)cc1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LLELRDIGEGHUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-2-4-13(5-3-12)15-11-23-17(18-15)19-16(22)10-20(8-9-21)14-6-7-14/h2-5,11,14,21H,6-10H2,1H3,(H,18,19,22).
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 110906790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).