N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide

C14H15N5OS — CID 131891713

IUPACN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cc(C)c2nc(N)sc2c1
InChIInChI=1S/C14H15N5OS/c1-7-4-9(5-11-12(7)17-14(15)21-11)16-13(20)10-6-19(3)18-8(10)2/h4-6H,1-3H3,(H2,15,17)(H,16,20)
InChIKeyUMLCSDWCZAIRKD-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.48
Rot. Bonds2

About N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide

N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 131891713) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID131891713
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cc(C)c2nc(N)sc2c1
InChIInChI=1S/C14H15N5OS/c1-7-4-9(5-11-12(7)17-14(15)21-11)16-13(20)10-6-19(3)18-8(10)2/h4-6H,1-3H3,(H2,15,17)(H,16,20)
InChIKeyUMLCSDWCZAIRKD-UHFFFAOYSA-N
XLogP2.48
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide (CID 131891713) is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1cc(C)c2nc(N)sc2c1.
What is the InChIKey of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is UMLCSDWCZAIRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-7-4-9(5-11-12(7)17-14(15)21-11)16-13(20)10-6-19(3)18-8(10)2/h4-6H,1-3H3,(H2,15,17)(H,16,20).
What are the key properties of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide?
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 131891713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).