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

C14H17N5O2S — CID 91945708

IUPAC1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC(=O)Nc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C14H17N5O2S/c1-19-7-6-10(18-19)13(21)15-8-12(20)17-14-16-9-4-2-3-5-11(9)22-14/h6-7H,2-5,8H2,1H3,(H,15,21)(H,16,17,20)
InChIKeyBDWHBYYLNVBHCL-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.12
Rot. Bonds4

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

1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide (PubChem CID 91945708) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide
PubChem CID91945708
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC(=O)Nc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C14H17N5O2S/c1-19-7-6-10(18-19)13(21)15-8-12(20)17-14-16-9-4-2-3-5-11(9)22-14/h6-7H,2-5,8H2,1H3,(H,15,21)(H,16,17,20)
InChIKeyBDWHBYYLNVBHCL-UHFFFAOYSA-N
XLogP1.12
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide (CID 91945708) is 1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide is Cn1ccc(C(=O)NCC(=O)Nc2nc3c(s2)CCCC3)n1.
What is the InChIKey of 1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide?
The InChIKey is BDWHBYYLNVBHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-19-7-6-10(18-19)13(21)15-8-12(20)17-14-16-9-4-2-3-5-11(9)22-14/h6-7H,2-5,8H2,1H3,(H,15,21)(H,16,17,20).
What are the key properties of 1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide?
1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91945708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).