4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide

C19H20N4O2S — CID 42948155

IUPAC4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide
SMILESCc1csc2nc(CN(Cc3ccc(C(N)=O)cc3)C3CC3)cc(=O)n12
InChIInChI=1S/C19H20N4O2S/c1-12-11-26-19-21-15(8-17(24)23(12)19)10-22(16-6-7-16)9-13-2-4-14(5-3-13)18(20)25/h2-5,8,11,16H,6-7,9-10H2,1H3,(H2,20,25)
InChIKeySTDJAWFMAAJMPN-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.33
Rot. Bonds6

About 4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide

4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide (PubChem CID 42948155) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide
PubChem CID42948155
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide
SMILESCc1csc2nc(CN(Cc3ccc(C(N)=O)cc3)C3CC3)cc(=O)n12
InChIInChI=1S/C19H20N4O2S/c1-12-11-26-19-21-15(8-17(24)23(12)19)10-22(16-6-7-16)9-13-2-4-14(5-3-13)18(20)25/h2-5,8,11,16H,6-7,9-10H2,1H3,(H2,20,25)
InChIKeySTDJAWFMAAJMPN-UHFFFAOYSA-N
XLogP2.33
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide (CID 42948155) is 4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide is Cc1csc2nc(CN(Cc3ccc(C(N)=O)cc3)C3CC3)cc(=O)n12.
What is the InChIKey of 4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide?
The InChIKey is STDJAWFMAAJMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-11-26-19-21-15(8-17(24)23(12)19)10-22(16-6-7-16)9-13-2-4-14(5-3-13)18(20)25/h2-5,8,11,16H,6-7,9-10H2,1H3,(H2,20,25).
What are the key properties of 4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide?
4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide has a molecular weight of 368.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 42948155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).