3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide

C18H23N3OS — CID 110398045

IUPAC3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2csc(N3CCCC3)n2)cc1C
InChIInChI=1S/C18H23N3OS/c1-13-5-6-15(11-14(13)2)17(22)19-8-7-16-12-23-18(20-16)21-9-3-4-10-21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyYPACKSKZSXYYMB-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.33
Rot. Bonds5

About 3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide

3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 110398045) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID110398045
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2csc(N3CCCC3)n2)cc1C
InChIInChI=1S/C18H23N3OS/c1-13-5-6-15(11-14(13)2)17(22)19-8-7-16-12-23-18(20-16)21-9-3-4-10-21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyYPACKSKZSXYYMB-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398163
4-bromo-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398036
3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 86953668
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110397866
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 136526678
3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7694174
2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119888192
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110398101
3-(4-bromophenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 86953670

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide (CID 110398045) is 3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2csc(N3CCCC3)n2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is YPACKSKZSXYYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-5-6-15(11-14(13)2)17(22)19-8-7-16-12-23-18(20-16)21-9-3-4-10-21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,22).
What are the key properties of 3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide?
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 329.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110398045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).