N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide

C19H25N3O2S — CID 110117887

IUPACN-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cnc(C3(C)CCCCO3)nc2)cs1
InChIInChI=1S/C19H25N3O2S/c1-13(2)16-8-15(12-25-16)17(23)20-9-14-10-21-18(22-11-14)19(3)6-4-5-7-24-19/h8,10-13H,4-7,9H2,1-3H3,(H,20,23)
InChIKeyVPSFDVUPKLIKEQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.01
Rot. Bonds5

About N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide

N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 110117887) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
PubChem CID110117887
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cnc(C3(C)CCCCO3)nc2)cs1
InChIInChI=1S/C19H25N3O2S/c1-13(2)16-8-15(12-25-16)17(23)20-9-14-10-21-18(22-11-14)19(3)6-4-5-7-24-19/h8,10-13H,4-7,9H2,1-3H3,(H,20,23)
InChIKeyVPSFDVUPKLIKEQ-UHFFFAOYSA-N
XLogP4.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide (CID 110117887) is N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide is CC(C)c1cc(C(=O)NCc2cnc(C3(C)CCCCO3)nc2)cs1.
What is the InChIKey of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is VPSFDVUPKLIKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13(2)16-8-15(12-25-16)17(23)20-9-14-10-21-18(22-11-14)19(3)6-4-5-7-24-19/h8,10-13H,4-7,9H2,1-3H3,(H,20,23).
What are the key properties of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide?
N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 110117887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).