N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide

C18H19N3O2S2 — CID 652332

IUPACN-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
SMILESCc1sc2nc(CN(Cc3cccs3)C(=O)C3CC3)[nH]c(=O)c2c1C
InChIInChI=1S/C18H19N3O2S2/c1-10-11(2)25-17-15(10)16(22)19-14(20-17)9-21(18(23)12-5-6-12)8-13-4-3-7-24-13/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,19,20,22)
InChIKeyZIBNXJLGMQFTDW-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.60
Rot. Bonds5

About N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide

N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide (PubChem CID 652332) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
PubChem CID652332
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
SMILESCc1sc2nc(CN(Cc3cccs3)C(=O)C3CC3)[nH]c(=O)c2c1C
InChIInChI=1S/C18H19N3O2S2/c1-10-11(2)25-17-15(10)16(22)19-14(20-17)9-21(18(23)12-5-6-12)8-13-4-3-7-24-13/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,19,20,22)
InChIKeyZIBNXJLGMQFTDW-UHFFFAOYSA-N
XLogP3.60
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide (CID 652332) is N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide is Cc1sc2nc(CN(Cc3cccs3)C(=O)C3CC3)[nH]c(=O)c2c1C.
What is the InChIKey of N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide?
The InChIKey is ZIBNXJLGMQFTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-10-11(2)25-17-15(10)16(22)19-14(20-17)9-21(18(23)12-5-6-12)8-13-4-3-7-24-13/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,19,20,22).
What are the key properties of N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide?
N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 652332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).