2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide

C20H21N5OS — CID 90620616

IUPAC2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCc3cnc4cc(C)nn4c3)cc2s1
InChIInChI=1S/C20H21N5OS/c1-3-19-23-16-7-6-15(10-17(16)27-19)20(26)21-8-4-5-14-11-22-18-9-13(2)24-25(18)12-14/h6-7,9-12H,3-5,8H2,1-2H3,(H,21,26)
InChIKeyKHVWMPNXBAAQHD-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.57
Rot. Bonds6

About 2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide

2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 90620616) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide
PubChem CID90620616
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCc3cnc4cc(C)nn4c3)cc2s1
InChIInChI=1S/C20H21N5OS/c1-3-19-23-16-7-6-15(10-17(16)27-19)20(26)21-8-4-5-14-11-22-18-9-13(2)24-25(18)12-14/h6-7,9-12H,3-5,8H2,1-2H3,(H,21,26)
InChIKeyKHVWMPNXBAAQHD-UHFFFAOYSA-N
XLogP3.57
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620689
2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90620527
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
CID 90620708
2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
CID 90620671
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide
CID 90620692
1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90620663
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-pyrazol-1-ylacetamide
CID 90620641
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 73168295
2-benzylsulfanyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620539
2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620524
1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea
CID 90620739
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138674640

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide (CID 90620616) is 2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide is CCc1nc2ccc(C(=O)NCCCc3cnc4cc(C)nn4c3)cc2s1.
What is the InChIKey of 2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is KHVWMPNXBAAQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-3-19-23-16-7-6-15(10-17(16)27-19)20(26)21-8-4-5-14-11-22-18-9-13(2)24-25(18)12-14/h6-7,9-12H,3-5,8H2,1-2H3,(H,21,26).
What are the key properties of 2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide?
2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 90620616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).