N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C19H25N3OS — CID 75416700

IUPACN-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CN2CCCC(C)C2)cs1
InChIInChI=1S/C19H25N3OS/c1-14-6-8-18(9-7-14)22(16(3)23)19-20-17(13-24-19)12-21-10-4-5-15(2)11-21/h6-9,13,15H,4-5,10-12H2,1-3H3
InChIKeyBEVIMMAXNBLRPG-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.37
Rot. Bonds4

About N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 75416700) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID75416700
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CN2CCCC(C)C2)cs1
InChIInChI=1S/C19H25N3OS/c1-14-6-8-18(9-7-14)22(16(3)23)19-20-17(13-24-19)12-21-10-4-5-15(2)11-21/h6-9,13,15H,4-5,10-12H2,1-3H3
InChIKeyBEVIMMAXNBLRPG-UHFFFAOYSA-N
XLogP4.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 75416700) is N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCCC(C)C2)cs1.
What is the InChIKey of N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BEVIMMAXNBLRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14-6-8-18(9-7-14)22(16(3)23)19-20-17(13-24-19)12-21-10-4-5-15(2)11-21/h6-9,13,15H,4-5,10-12H2,1-3H3.
What are the key properties of N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 343.50 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 75416700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).