1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide

C19H17N7OS — CID 121018217

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
SMILESCc1nc2cc(NC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)ccc2s1
InChIInChI=1S/C19H17N7OS/c1-12-23-15-6-14(2-3-16(15)28-12)24-19(27)13-8-26(9-13)18-7-17(21-10-22-18)25-5-4-20-11-25/h2-7,10-11,13H,8-9H2,1H3,(H,24,27)
InChIKeyUMTZDGOKJWYWRS-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.66
Rot. Bonds4

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide (PubChem CID 121018217) has the molecular formula C19H17N7OS and a molecular weight of 391.46 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
PubChem CID121018217
Molecular FormulaC19H17N7OS
Molecular Weight391.46 g/mol
Exact Mass391.12
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
SMILESCc1nc2cc(NC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)ccc2s1
InChIInChI=1S/C19H17N7OS/c1-12-23-15-6-14(2-3-16(15)28-12)24-19(27)13-8-26(9-13)18-7-17(21-10-22-18)25-5-4-20-11-25/h2-7,10-11,13H,8-9H2,1H3,(H,24,27)
InChIKeyUMTZDGOKJWYWRS-UHFFFAOYSA-N
XLogP2.66
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide (CID 121018217) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide is Cc1nc2cc(NC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)ccc2s1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide?
The InChIKey is UMTZDGOKJWYWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS/c1-12-23-15-6-14(2-3-16(15)28-12)24-19(27)13-8-26(9-13)18-7-17(21-10-22-18)25-5-4-20-11-25/h2-7,10-11,13H,8-9H2,1H3,(H,24,27).
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121018217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).