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

C22H25N3OS — CID 54583639

IUPACN-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H25N3OS/c1-3-25(4-2)16-15-23-21(26)20-19(17-11-7-5-8-12-17)24-22(27-20)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3,(H,23,26)
InChIKeyWDQKBUQPNOSCQU-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.55
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 54583639) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
PubChem CID54583639
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H25N3OS/c1-3-25(4-2)16-15-23-21(26)20-19(17-11-7-5-8-12-17)24-22(27-20)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3,(H,23,26)
InChIKeyWDQKBUQPNOSCQU-UHFFFAOYSA-N
XLogP4.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (CID 54583639) is N-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is CCN(CC)CCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WDQKBUQPNOSCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-3-25(4-2)16-15-23-21(26)20-19(17-11-7-5-8-12-17)24-22(27-20)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
N-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 54583639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).