N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide

C18H23N3OS — CID 86855941

IUPACN-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCc1nc(CN(C)CC(=O)N(Cc2ccccc2)C2CC2)cs1
InChIInChI=1S/C18H23N3OS/c1-14-19-16(13-23-14)11-20(2)12-18(22)21(17-8-9-17)10-15-6-4-3-5-7-15/h3-7,13,17H,8-12H2,1-2H3
InChIKeyYOVAILAISRMTRC-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.07
Rot. Bonds7

About N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide

N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide (PubChem CID 86855941) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
PubChem CID86855941
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCc1nc(CN(C)CC(=O)N(Cc2ccccc2)C2CC2)cs1
InChIInChI=1S/C18H23N3OS/c1-14-19-16(13-23-14)11-20(2)12-18(22)21(17-8-9-17)10-15-6-4-3-5-7-15/h3-7,13,17H,8-12H2,1-2H3
InChIKeyYOVAILAISRMTRC-UHFFFAOYSA-N
XLogP3.07
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide
CID 86855956
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 110718267
N-cyclopropyl-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718307
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718310
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 25293575
N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940536
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone
CID 104750436
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 62044439
2-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]benzoic acid
CID 104548760
1-benzyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 86855477
N-cyclopropyl-2,3,4-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718279

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide (CID 86855941) is N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide is Cc1nc(CN(C)CC(=O)N(Cc2ccccc2)C2CC2)cs1.
What is the InChIKey of N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The InChIKey is YOVAILAISRMTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14-19-16(13-23-14)11-20(2)12-18(22)21(17-8-9-17)10-15-6-4-3-5-7-15/h3-7,13,17H,8-12H2,1-2H3.
What are the key properties of N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 86855941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).