N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C17H19N5O2S — CID 70748250

IUPACN-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCC3=CSC4=NCCCN34)n[nH]2)o1
InChIInChI=1S/C17H19N5O2S/c1-11-3-4-15(24-11)13-9-14(21-20-13)16(23)18-7-5-12-10-25-17-19-6-2-8-22(12)17/h3-4,9-10H,2,5-8H2,1H3,(H,18,23)(H,20,21)
InChIKeyKPJNPJOAPRCYSV-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 70748250) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID70748250
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCC3=CSC4=NCCCN34)n[nH]2)o1
InChIInChI=1S/C17H19N5O2S/c1-11-3-4-15(24-11)13-9-14(21-20-13)16(23)18-7-5-12-10-25-17-19-6-2-8-22(12)17/h3-4,9-10H,2,5-8H2,1H3,(H,18,23)(H,20,21)
InChIKeyKPJNPJOAPRCYSV-UHFFFAOYSA-N
XLogP2.75
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 70748250) is N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCC3=CSC4=NCCCN34)n[nH]2)o1.
What is the InChIKey of N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is KPJNPJOAPRCYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-11-3-4-15(24-11)13-9-14(21-20-13)16(23)18-7-5-12-10-25-17-19-6-2-8-22(12)17/h3-4,9-10H,2,5-8H2,1H3,(H,18,23)(H,20,21).
What are the key properties of N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70748250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).