propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate

C15H21N3O4S2 — CID 3873684

IUPACpropan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate
SMILESCSCCC(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)OC(C)C
InChIInChI=1S/C15H21N3O4S2/c1-9(2)22-14(21)11(4-6-23-3)17-12(19)10-8-16-15-18(13(10)20)5-7-24-15/h8-9,11H,4-7H2,1-3H3,(H,17,19)
InChIKeyQWXFZWJZISAKMH-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.15
Rot. Bonds7

About propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate

propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate (PubChem CID 3873684) has the molecular formula C15H21N3O4S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate.

Molecular Properties

Compound Namepropan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate
PubChem CID3873684
Molecular FormulaC15H21N3O4S2
Molecular Weight371.48 g/mol
Exact Mass371.10
IUPAC Namepropan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate
SMILESCSCCC(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)OC(C)C
InChIInChI=1S/C15H21N3O4S2/c1-9(2)22-14(21)11(4-6-23-3)17-12(19)10-8-16-15-18(13(10)20)5-7-24-15/h8-9,11H,4-7H2,1-3H3,(H,17,19)
InChIKeyQWXFZWJZISAKMH-UHFFFAOYSA-N
XLogP1.15
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate?
The IUPAC name of propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate (CID 3873684) is propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate.
What is the SMILES notation for propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate?
The canonical SMILES for propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate is CSCCC(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate?
The InChIKey is QWXFZWJZISAKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S2/c1-9(2)22-14(21)11(4-6-23-3)17-12(19)10-8-16-15-18(13(10)20)5-7-24-15/h8-9,11H,4-7H2,1-3H3,(H,17,19).
What are the key properties of propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate?
propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate has a molecular weight of 371.48 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate is sourced from PubChem (CID 3873684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).