2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide

C15H19N5O2S — CID 91945741

IUPAC2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H19N5O2S/c1-20-11(6-9-17-20)14(22)16-8-7-13(21)19-15-18-10-4-2-3-5-12(10)23-15/h6,9H,2-5,7-8H2,1H3,(H,16,22)(H,18,19,21)
InChIKeySOPVSEAHPGFRDF-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.51
Rot. Bonds5

About 2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide

2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide (PubChem CID 91945741) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide
PubChem CID91945741
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H19N5O2S/c1-20-11(6-9-17-20)14(22)16-8-7-13(21)19-15-18-10-4-2-3-5-12(10)23-15/h6,9H,2-5,7-8H2,1H3,(H,16,22)(H,18,19,21)
InChIKeySOPVSEAHPGFRDF-UHFFFAOYSA-N
XLogP1.51
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide (CID 91945741) is 2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NCCC(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide?
The InChIKey is SOPVSEAHPGFRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-20-11(6-9-17-20)14(22)16-8-7-13(21)19-15-18-10-4-2-3-5-12(10)23-15/h6,9H,2-5,7-8H2,1H3,(H,16,22)(H,18,19,21).
What are the key properties of 2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide?
2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91945741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).