N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide

C18H22N4O2S2 — CID 121122828

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide
SMILESCc1nc(C)c(CNC(=O)CC2CSc3nc4c(c(=O)n32)CCCC4)s1
InChIInChI=1S/C18H22N4O2S2/c1-10-15(26-11(2)20-10)8-19-16(23)7-12-9-25-18-21-14-6-4-3-5-13(14)17(24)22(12)18/h12H,3-9H2,1-2H3,(H,19,23)
InChIKeyQEDBGDMKVIVVDT-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.55
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide (PubChem CID 121122828) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide
PubChem CID121122828
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide
SMILESCc1nc(C)c(CNC(=O)CC2CSc3nc4c(c(=O)n32)CCCC4)s1
InChIInChI=1S/C18H22N4O2S2/c1-10-15(26-11(2)20-10)8-19-16(23)7-12-9-25-18-21-14-6-4-3-5-13(14)17(24)22(12)18/h12H,3-9H2,1-2H3,(H,19,23)
InChIKeyQEDBGDMKVIVVDT-UHFFFAOYSA-N
XLogP2.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide (CID 121122828) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide is Cc1nc(C)c(CNC(=O)CC2CSc3nc4c(c(=O)n32)CCCC4)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide?
The InChIKey is QEDBGDMKVIVVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-10-15(26-11(2)20-10)8-19-16(23)7-12-9-25-18-21-14-6-4-3-5-13(14)17(24)22(12)18/h12H,3-9H2,1-2H3,(H,19,23).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide has a molecular weight of 390.53 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide is sourced from PubChem (CID 121122828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).