2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide

C19H20N6OS — CID 108800559

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1cc(C)nc(Nc2cccc(NC(=O)CC3=CSC4=NCCN34)c2)n1
InChIInChI=1S/C19H20N6OS/c1-12-8-13(2)22-18(21-12)24-15-5-3-4-14(9-15)23-17(26)10-16-11-27-19-20-6-7-25(16)19/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,23,26)(H,21,22,24)
InChIKeyVVZDVGHDJOMPPI-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.43
Rot. Bonds5

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 108800559) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID108800559
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1cc(C)nc(Nc2cccc(NC(=O)CC3=CSC4=NCCN34)c2)n1
InChIInChI=1S/C19H20N6OS/c1-12-8-13(2)22-18(21-12)24-15-5-3-4-14(9-15)23-17(26)10-16-11-27-19-20-6-7-25(16)19/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,23,26)(H,21,22,24)
InChIKeyVVZDVGHDJOMPPI-UHFFFAOYSA-N
XLogP3.43
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108800583
methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
CID 108800479
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 108787628
ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
CID 108787488
N-(4-cyanophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787570
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 108787696
N-(5-acetyl-2-chlorophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108800556
N-(2-chloro-3-pyridinyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787577
N'-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-N-(4-fluorophenyl)butanediamide
CID 108768464
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108746207
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CID 108800450
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108746218

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide (CID 108800559) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide is Cc1cc(C)nc(Nc2cccc(NC(=O)CC3=CSC4=NCCN34)c2)n1.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is VVZDVGHDJOMPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-12-8-13(2)22-18(21-12)24-15-5-3-4-14(9-15)23-17(26)10-16-11-27-19-20-6-7-25(16)19/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,23,26)(H,21,22,24).
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 380.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 108800559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).