N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide

C27H30N4OS2 — CID 4607920

IUPACN-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC(C)(C)NC3(C)C)cc1
InChIInChI=1S/C27H30N4OS2/c1-26(2)15-18-21(24-28-19-9-7-8-10-20(19)33-24)25(34-22(18)27(3,4)30-26)29-23(32)16-11-13-17(14-12-16)31(5)6/h7-14,30H,15H2,1-6H3,(H,29,32)
InChIKeyRHONTYHMICVZDD-UHFFFAOYSA-N
MW490.70 g/mol
LogP6.50
Rot. Bonds4

About N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide

N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide (PubChem CID 4607920) has the molecular formula C27H30N4OS2 and a molecular weight of 490.70 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide
PubChem CID4607920
Molecular FormulaC27H30N4OS2
Molecular Weight490.70 g/mol
Exact Mass490.19
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC(C)(C)NC3(C)C)cc1
InChIInChI=1S/C27H30N4OS2/c1-26(2)15-18-21(24-28-19-9-7-8-10-20(19)33-24)25(34-22(18)27(3,4)30-26)29-23(32)16-11-13-17(14-12-16)31(5)6/h7-14,30H,15H2,1-6H3,(H,29,32)
InChIKeyRHONTYHMICVZDD-UHFFFAOYSA-N
XLogP6.50
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.70
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide with MolForge

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide
CID 4156958
N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 3605288
N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 3353864
N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-3-phenoxypropanamide
CID 4547145
N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 4202203
(E)-N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6089260
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
ethyl 2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4191867
ethyl 3-(1,3-benzothiazol-2-yl)-2-[[4-(dimethylamino)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 4078488
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 2329873
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]naphthalene-2-carboxamide
CID 16874515
methyl 5,5,7,7-tetramethyl-2-(naphthalene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4072775

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide (CID 4607920) is N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC(C)(C)NC3(C)C)cc1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide?
The InChIKey is RHONTYHMICVZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4OS2/c1-26(2)15-18-21(24-28-19-9-7-8-10-20(19)33-24)25(34-22(18)27(3,4)30-26)29-23(32)16-11-13-17(14-12-16)31(5)6/h7-14,30H,15H2,1-6H3,(H,29,32).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide?
N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide has a molecular weight of 490.70 g/mol, XLogP of 6.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 4607920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).