N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide

C14H18N4OS — CID 71916584

IUPACN-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCc1nc2c(s1)C(N(C)C(=O)c1ccn[nH]1)CCC2
InChIInChI=1S/C14H18N4OS/c1-3-12-16-9-5-4-6-11(13(9)20-12)18(2)14(19)10-7-8-15-17-10/h7-8,11H,3-6H2,1-2H3,(H,15,17)
InChIKeyIHAGFWGWEHGMPS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.58
Rot. Bonds3

About N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide

N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 71916584) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID71916584
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCc1nc2c(s1)C(N(C)C(=O)c1ccn[nH]1)CCC2
InChIInChI=1S/C14H18N4OS/c1-3-12-16-9-5-4-6-11(13(9)20-12)18(2)14(19)10-7-8-15-17-10/h7-8,11H,3-6H2,1-2H3,(H,15,17)
InChIKeyIHAGFWGWEHGMPS-UHFFFAOYSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-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 N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide (CID 71916584) is N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide is CCc1nc2c(s1)C(N(C)C(=O)c1ccn[nH]1)CCC2.
What is the InChIKey of N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is IHAGFWGWEHGMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-12-16-9-5-4-6-11(13(9)20-12)18(2)14(19)10-7-8-15-17-10/h7-8,11H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide?
N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71916584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).