2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

C13H16N4OS — CID 62751493

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCN(Cc1cnn(C)c1)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C13H16N4OS/c1-16(7-9-6-14-17(2)8-9)13-15-10-4-3-5-11(18)12(10)19-13/h6,8H,3-5,7H2,1-2H3
InChIKeyGOPYGIZKUIUPOD-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.03
Rot. Bonds3

About 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 62751493) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID62751493
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCN(Cc1cnn(C)c1)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C13H16N4OS/c1-16(7-9-6-14-17(2)8-9)13-15-10-4-3-5-11(18)12(10)19-13/h6,8H,3-5,7H2,1-2H3
InChIKeyGOPYGIZKUIUPOD-UHFFFAOYSA-N
XLogP2.03
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one with MolForge

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Related Compounds

2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62751549
methyl 5-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113306967
5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697376
2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977033
2-[methyl(oxan-4-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 63707013
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702878
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 62752778
4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63916634
2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 55114086
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62767914
2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62985465
2-[benzyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976338

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 62751493) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is CN(Cc1cnn(C)c1)c1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is GOPYGIZKUIUPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-16(7-9-6-14-17(2)8-9)13-15-10-4-3-5-11(18)12(10)19-13/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 276.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 62751493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).