2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide

C23H33N5OS — CID 121283416

IUPAC2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCN(C)CCN(Cc1nccs1)C(=O)CNc1cccc2c1CCN(CC1CC1)C2
InChIInChI=1S/C23H33N5OS/c1-26(2)11-12-28(17-22-24-9-13-30-22)23(29)14-25-21-5-3-4-19-16-27(10-8-20(19)21)15-18-6-7-18/h3-5,9,13,18,25H,6-8,10-12,14-17H2,1-2H3
InChIKeySQCGNEBOAUPIAX-UHFFFAOYSA-N
MW427.62 g/mol
LogP2.91
Rot. Bonds10

About 2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide

2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 121283416) has the molecular formula C23H33N5OS and a molecular weight of 427.62 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID121283416
Molecular FormulaC23H33N5OS
Molecular Weight427.62 g/mol
Exact Mass427.24
IUPAC Name2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCN(C)CCN(Cc1nccs1)C(=O)CNc1cccc2c1CCN(CC1CC1)C2
InChIInChI=1S/C23H33N5OS/c1-26(2)11-12-28(17-22-24-9-13-30-22)23(29)14-25-21-5-3-4-19-16-27(10-8-20(19)21)15-18-6-7-18/h3-5,9,13,18,25H,6-8,10-12,14-17H2,1-2H3
InChIKeySQCGNEBOAUPIAX-UHFFFAOYSA-N
XLogP2.91
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.62
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 16094675
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CID 164609187
2-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-N-thiazol-2-yl-acetamide
CID 3152694
N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
CID 24817466
N-(2-Isopropyl-6-methylphenyl)-2-{methyl[1-(1,3-thiazol-2-YL)ethyl]amino}acetamide
CID 50967597
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CID 56719514
N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide
CID 71982861
US9611224, Example 2d
CID 89923543
2-(2-amino-1,3-thiazol-3-ium-3-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 2348792
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N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 72007804
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 121283416) is 2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide is CN(C)CCN(Cc1nccs1)C(=O)CNc1cccc2c1CCN(CC1CC1)C2.
What is the InChIKey of 2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is SQCGNEBOAUPIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5OS/c1-26(2)11-12-28(17-22-24-9-13-30-22)23(29)14-25-21-5-3-4-19-16-27(10-8-20(19)21)15-18-6-7-18/h3-5,9,13,18,25H,6-8,10-12,14-17H2,1-2H3.
What are the key properties of 2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 427.62 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 121283416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).