N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide

C16H16N4OS2 — CID 166339367

IUPACN-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc2cnc(SCC(C)c3ccccc3)nc2s1
InChIInChI=1S/C16H16N4OS2/c1-10(12-6-4-3-5-7-12)9-22-15-17-8-13-14(20-15)23-16(19-13)18-11(2)21/h3-8,10H,9H2,1-2H3,(H,18,19,21)
InChIKeyQSEOZTMXMQWKHR-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.94
Rot. Bonds5

About N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide

N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide (PubChem CID 166339367) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide
PubChem CID166339367
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc2cnc(SCC(C)c3ccccc3)nc2s1
InChIInChI=1S/C16H16N4OS2/c1-10(12-6-4-3-5-7-12)9-22-15-17-8-13-14(20-15)23-16(19-13)18-11(2)21/h3-8,10H,9H2,1-2H3,(H,18,19,21)
InChIKeyQSEOZTMXMQWKHR-UHFFFAOYSA-N
XLogP3.94
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide
CID 58357227
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 7926146
N-(4-oxo-3,1-benzothiazin-2-yl)acetamide
CID 2810227
(2S)-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]propanoic acid
CID 104876136
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 92719568
N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 57299473
[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 2933835
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid
CID 123964903
[5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid
CID 123884050
(3R)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1164537
2-acetamido-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170708

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide (CID 166339367) is N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide is CC(=O)Nc1nc2cnc(SCC(C)c3ccccc3)nc2s1.
What is the InChIKey of N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide?
The InChIKey is QSEOZTMXMQWKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-10(12-6-4-3-5-7-12)9-22-15-17-8-13-14(20-15)23-16(19-13)18-11(2)21/h3-8,10H,9H2,1-2H3,(H,18,19,21).
What are the key properties of N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide?
N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide has a molecular weight of 344.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 166339367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).