N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide

C17H19N5O2S — CID 138030871

IUPACN-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(c3ncnc4sccc34)CC2)o1
InChIInChI=1S/C17H19N5O2S/c1-12-2-3-13(24-12)10-18-17(23)22-7-5-21(6-8-22)15-14-4-9-25-16(14)20-11-19-15/h2-4,9,11H,5-8,10H2,1H3,(H,18,23)
InChIKeyOLTITPMYFOLQMR-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.62
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide

N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide (PubChem CID 138030871) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide
PubChem CID138030871
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(c3ncnc4sccc34)CC2)o1
InChIInChI=1S/C17H19N5O2S/c1-12-2-3-13(24-12)10-18-17(23)22-7-5-21(6-8-22)15-14-4-9-25-16(14)20-11-19-15/h2-4,9,11H,5-8,10H2,1H3,(H,18,23)
InChIKeyOLTITPMYFOLQMR-UHFFFAOYSA-N
XLogP2.62
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)amino]butanoic acid
CID 122021678
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
(4-methylphenyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 20849648
(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842603
5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120684892
N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide
CID 146129698
methyl 2-methyl-5-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]furan-3-carboxylate
CID 78848702
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119842616
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 112813449
4-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 119069922
N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide
CID 139021545
2-(2-methoxyethylamino)-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119842629

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide (CID 138030871) is N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide is Cc1ccc(CNC(=O)N2CCN(c3ncnc4sccc34)CC2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide?
The InChIKey is OLTITPMYFOLQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12-2-3-13(24-12)10-18-17(23)22-7-5-21(6-8-22)15-14-4-9-25-16(14)20-11-19-15/h2-4,9,11H,5-8,10H2,1H3,(H,18,23).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 138030871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).