N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide

C19H19N3OS2 — CID 3224595

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide
SMILESCc1csc(NC(=O)CSc2nc3ccccc3c3c2CCCC3)n1
InChIInChI=1S/C19H19N3OS2/c1-12-10-25-19(20-12)22-17(23)11-24-18-15-8-3-2-6-13(15)14-7-4-5-9-16(14)21-18/h4-5,7,9-10H,2-3,6,8,11H2,1H3,(H,20,22,23)
InChIKeyRHHDWOQACJSNHD-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.61
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide (PubChem CID 3224595) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide
PubChem CID3224595
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide
SMILESCc1csc(NC(=O)CSc2nc3ccccc3c3c2CCCC3)n1
InChIInChI=1S/C19H19N3OS2/c1-12-10-25-19(20-12)22-17(23)11-24-18-15-8-3-2-6-13(15)14-7-4-5-9-16(14)21-18/h4-5,7,9-10H,2-3,6,8,11H2,1H3,(H,20,22,23)
InChIKeyRHHDWOQACJSNHD-UHFFFAOYSA-N
XLogP4.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-phenyl-1,3-thiazol-2-yl)-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]butanediamide
CID 71451348
N'-(4-phenyl-1,3-thiazol-2-yl)-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pentanediamide
CID 71451350
N'-(4-phenyl-1,3-thiazol-2-yl)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]butanediamide
CID 71456680
2-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71456681
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N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 1238357
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-(2-quinolinylthio)acetamide
CID 1281724
N-[5-(4-Tert-butylphenyl)-1,2,4-thiadiazol-3-YL]-2-[(4-methylquinolin-2-YL)sulfanyl]acetamide
CID 3527793
3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 71451351
N-{3-[2-(6-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-phenyl}-acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide (CID 3224595) is N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide is Cc1csc(NC(=O)CSc2nc3ccccc3c3c2CCCC3)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide?
The InChIKey is RHHDWOQACJSNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-12-10-25-19(20-12)22-17(23)11-24-18-15-8-3-2-6-13(15)14-7-4-5-9-16(14)21-18/h4-5,7,9-10H,2-3,6,8,11H2,1H3,(H,20,22,23).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide has a molecular weight of 369.52 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide is sourced from PubChem (CID 3224595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).