N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide

C21H31N3OS — CID 59338265

IUPACN-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2cccc(C(C)C)c2)nc1C
InChIInChI=1S/C21H31N3OS/c1-7-24(8-2)13-12-23(6)21(25)19-16(5)22-20(26-19)18-11-9-10-17(14-18)15(3)4/h9-11,14-15H,7-8,12-13H2,1-6H3
InChIKeyCLAMWXXURGMAIY-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.66
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide

N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 59338265) has the molecular formula C21H31N3OS and a molecular weight of 373.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID59338265
Molecular FormulaC21H31N3OS
Molecular Weight373.57 g/mol
Exact Mass373.22
IUPAC NameN-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2cccc(C(C)C)c2)nc1C
InChIInChI=1S/C21H31N3OS/c1-7-24(8-2)13-12-23(6)21(25)19-16(5)22-20(26-19)18-11-9-10-17(14-18)15(3)4/h9-11,14-15H,7-8,12-13H2,1-6H3
InChIKeyCLAMWXXURGMAIY-UHFFFAOYSA-N
XLogP4.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide (CID 59338265) is N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide is CCN(CC)CCN(C)C(=O)c1sc(-c2cccc(C(C)C)c2)nc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CLAMWXXURGMAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3OS/c1-7-24(8-2)13-12-23(6)21(25)19-16(5)22-20(26-19)18-11-9-10-17(14-18)15(3)4/h9-11,14-15H,7-8,12-13H2,1-6H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 373.57 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59338265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).