2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide

C19H26N4OS — CID 70750602

IUPAC2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N(CCc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C19H26N4OS/c1-14-17(25-19(20)21-14)18(24)23(16-9-11-22(2)12-10-16)13-8-15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H2,20,21)
InChIKeyVAVOLTQGPDLXMN-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.81
Rot. Bonds5

About 2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 70750602) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
PubChem CID70750602
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N(CCc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C19H26N4OS/c1-14-17(25-19(20)21-14)18(24)23(16-9-11-22(2)12-10-16)13-8-15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H2,20,21)
InChIKeyVAVOLTQGPDLXMN-UHFFFAOYSA-N
XLogP2.81
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide (CID 70750602) is 2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)N(CCc1ccccc1)C1CCN(C)CC1.
What is the InChIKey of 2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VAVOLTQGPDLXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-14-17(25-19(20)21-14)18(24)23(16-9-11-22(2)12-10-16)13-8-15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H2,20,21).
What are the key properties of 2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70750602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).