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

C14H18N4OS — CID 16952084

IUPAC1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CC(C)CC3)nn1C
InChIInChI=1S/C14H18N4OS/c1-8-4-5-10-12(6-8)20-14(15-10)16-13(19)11-7-9(2)18(3)17-11/h7-8H,4-6H2,1-3H3,(H,15,16,19)
InChIKeyXNLFLNMWFVZVLW-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.56
Rot. Bonds2

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

1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 16952084) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
PubChem CID16952084
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CC(C)CC3)nn1C
InChIInChI=1S/C14H18N4OS/c1-8-4-5-10-12(6-8)20-14(15-10)16-13(19)11-7-9(2)18(3)17-11/h7-8H,4-6H2,1-3H3,(H,15,16,19)
InChIKeyXNLFLNMWFVZVLW-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (CID 16952084) is 1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(s2)CC(C)CC3)nn1C.
What is the InChIKey of 1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is XNLFLNMWFVZVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-8-4-5-10-12(6-8)20-14(15-10)16-13(19)11-7-9(2)18(3)17-11/h7-8H,4-6H2,1-3H3,(H,15,16,19).
What are the key properties of 1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 16952084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).