2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H25N5OS — CID 99803603

IUPAC2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NCCCc3nc4c(s3)CCCC4)c2n1
InChIInChI=1S/C20H25N5OS/c1-12-11-13(2)25-19(22-12)18(14(3)24-25)20(26)21-10-6-9-17-23-15-7-4-5-8-16(15)27-17/h11H,4-10H2,1-3H3,(H,21,26)
InChIKeyMRXZIAKWJQHCGM-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.35
Rot. Bonds5

About 2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 99803603) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID99803603
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NCCCc3nc4c(s3)CCCC4)c2n1
InChIInChI=1S/C20H25N5OS/c1-12-11-13(2)25-19(22-12)18(14(3)24-25)20(26)21-10-6-9-17-23-15-7-4-5-8-16(15)27-17/h11H,4-10H2,1-3H3,(H,21,26)
InChIKeyMRXZIAKWJQHCGM-UHFFFAOYSA-N
XLogP3.35
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 99803603) is 2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2nc(C)c(C(=O)NCCCc3nc4c(s3)CCCC4)c2n1.
What is the InChIKey of 2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MRXZIAKWJQHCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-12-11-13(2)25-19(22-12)18(14(3)24-25)20(26)21-10-6-9-17-23-15-7-4-5-8-16(15)27-17/h11H,4-10H2,1-3H3,(H,21,26).
What are the key properties of 2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 99803603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).