2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide

C18H21N5OS — CID 91785917

IUPAC2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide
SMILESCc1ccc2c(c1)c(CNC(=O)CC1=CSC3=NCCCN13)nn2C
InChIInChI=1S/C18H21N5OS/c1-12-4-5-16-14(8-12)15(21-22(16)2)10-20-17(24)9-13-11-25-18-19-6-3-7-23(13)18/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,20,24)
InChIKeyGODADKBQMJPDFV-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.54
Rot. Bonds4

About 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide

2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide (PubChem CID 91785917) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide
PubChem CID91785917
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide
SMILESCc1ccc2c(c1)c(CNC(=O)CC1=CSC3=NCCCN13)nn2C
InChIInChI=1S/C18H21N5OS/c1-12-4-5-16-14(8-12)15(21-22(16)2)10-20-17(24)9-13-11-25-18-19-6-3-7-23(13)18/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,20,24)
InChIKeyGODADKBQMJPDFV-UHFFFAOYSA-N
XLogP2.54
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 91832559
N-[(1,5-dimethylindazol-3-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122558835
N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 157017185
N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide
CID 91795003
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 125176476
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108810114
N-[(1,5-dimethylindazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91782573
N-(2-acetamidoethyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108800580
N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 122563829
(3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97118436
(3S)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97187456

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide (CID 91785917) is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide is Cc1ccc2c(c1)c(CNC(=O)CC1=CSC3=NCCCN13)nn2C.
What is the InChIKey of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide?
The InChIKey is GODADKBQMJPDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12-4-5-16-14(8-12)15(21-22(16)2)10-20-17(24)9-13-11-25-18-19-6-3-7-23(13)18/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,20,24).
What are the key properties of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide?
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide has a molecular weight of 355.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide is sourced from PubChem (CID 91785917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).