4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide

C15H12N6OS — CID 137394131

IUPAC4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide
SMILESCn1ccc(-c2[nH]c(C(N)=O)nc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C15H12N6OS/c1-21-5-4-10(20-21)13-12(18-15(19-13)14(16)22)8-2-3-9-11(6-8)23-7-17-9/h2-7H,1H3,(H2,16,22)(H,18,19)
InChIKeyOTSRYBQLSNIGHW-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.19
Rot. Bonds3

About 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide

4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide (PubChem CID 137394131) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide
PubChem CID137394131
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide
SMILESCn1ccc(-c2[nH]c(C(N)=O)nc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C15H12N6OS/c1-21-5-4-10(20-21)13-12(18-15(19-13)14(16)22)8-2-3-9-11(6-8)23-7-17-9/h2-7H,1H3,(H2,16,22)(H,18,19)
InChIKeyOTSRYBQLSNIGHW-UHFFFAOYSA-N
XLogP2.19
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide (CID 137394131) is 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide is Cn1ccc(-c2[nH]c(C(N)=O)nc2-c2ccc3ncsc3c2)n1.
What is the InChIKey of 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide?
The InChIKey is OTSRYBQLSNIGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c1-21-5-4-10(20-21)13-12(18-15(19-13)14(16)22)8-2-3-9-11(6-8)23-7-17-9/h2-7H,1H3,(H2,16,22)(H,18,19).
What are the key properties of 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide?
4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 137394131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).