2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H18N4O3S2 — CID 3236293

IUPAC2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccsc2c1=O
InChIInChI=1S/C16H18N4O3S2/c1-3-4-6-20-15(22)14-11(5-7-24-14)17-16(20)25-9-13(21)18-12-8-10(2)23-19-12/h5,7-8H,3-4,6,9H2,1-2H3,(H,18,19,21)
InChIKeyJBHXGLGPXKLYEX-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.29
Rot. Bonds7

About 2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3236293) has the molecular formula C16H18N4O3S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3236293
Molecular FormulaC16H18N4O3S2
Molecular Weight378.48 g/mol
Exact Mass378.08
IUPAC Name2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccsc2c1=O
InChIInChI=1S/C16H18N4O3S2/c1-3-4-6-20-15(22)14-11(5-7-24-14)17-16(20)25-9-13(21)18-12-8-10(2)23-19-12/h5,7-8H,3-4,6,9H2,1-2H3,(H,18,19,21)
InChIKeyJBHXGLGPXKLYEX-UHFFFAOYSA-N
XLogP3.29
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-Methyl-3-isoxazolyl)-4-[(5E)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-YL]butanamide
CID 1632275
N-(5-Methyl-3-isoxazolyl)-2-thiophenecarboxamide
CID 670281
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7885633
N-(5-methyl-3-isoxazolyl)-2-(2-thienyl)acetamide
CID 717599
N-[2-({2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl}thio)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
CID 3240257
N-(Cyclopentylcarbamoyl-thiophen-2-yl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-phenyl-succinamide
CID 645511
Pentanedioic acid (5-methyl-isoxazol-3-yl)-amide (thiophen-2-ylmethyl)-amide
CID 652358
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 1276746
N-(5-Methyl-isoxazol-3-yl)-4-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyramide
CID 1632274
2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2105102
2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2529884
2-[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2567228

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3236293) is 2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccsc2c1=O.
What is the InChIKey of 2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JBHXGLGPXKLYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S2/c1-3-4-6-20-15(22)14-11(5-7-24-14)17-16(20)25-9-13(21)18-12-8-10(2)23-19-12/h5,7-8H,3-4,6,9H2,1-2H3,(H,18,19,21).
What are the key properties of 2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3236293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).