N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide

C18H17N5OS — CID 60582528

IUPACN-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)Nc2nc3ccccc3s2)cnn1C
InChIInChI=1S/C18H17N5OS/c1-11-8-9-12(2)23(11)17-13(10-19-22(17)3)16(24)21-18-20-14-6-4-5-7-15(14)25-18/h4-10H,1-3H3,(H,20,21,24)
InChIKeyRSSFPGOTDWYWOO-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.69
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide

N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 60582528) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
PubChem CID60582528
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)Nc2nc3ccccc3s2)cnn1C
InChIInChI=1S/C18H17N5OS/c1-11-8-9-12(2)23(11)17-13(10-19-22(17)3)16(24)21-18-20-14-6-4-5-7-15(14)25-18/h4-10H,1-3H3,(H,20,21,24)
InChIKeyRSSFPGOTDWYWOO-UHFFFAOYSA-N
XLogP3.69
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51054043
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 52745731
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide
CID 75526259
N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037
N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 35294982
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51052754
N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37019957
5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 45482651
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 27895592
N-(1,3-benzothiazol-2-yl)-5-bromo-2,3,4-trimethylbenzamide
CID 23804633

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide (CID 60582528) is N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide is Cc1ccc(C)n1-c1c(C(=O)Nc2nc3ccccc3s2)cnn1C.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is RSSFPGOTDWYWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-11-8-9-12(2)23(11)17-13(10-19-22(17)3)16(24)21-18-20-14-6-4-5-7-15(14)25-18/h4-10H,1-3H3,(H,20,21,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 60582528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).