N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide

C17H14N6O2S — CID 121033055

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1snnc1C
InChIInChI=1S/C17H14N6O2S/c1-10-15(26-22-21-10)16(24)19-12-8-11(4-5-14(12)25-2)13-9-23-7-3-6-18-17(23)20-13/h3-9H,1-2H3,(H,19,24)
InChIKeyJYVQNBUCEKMIAH-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.82
Rot. Bonds4

About N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 121033055) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID121033055
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1snnc1C
InChIInChI=1S/C17H14N6O2S/c1-10-15(26-22-21-10)16(24)19-12-8-11(4-5-14(12)25-2)13-9-23-7-3-6-18-17(23)20-13/h3-9H,1-2H3,(H,19,24)
InChIKeyJYVQNBUCEKMIAH-UHFFFAOYSA-N
XLogP2.82
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiophene-2-carboxamide
CID 122285495
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 122285527
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 122285443
3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide
CID 122285536
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
CID 121086914
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide
CID 7080283
2-(4-fluorophenoxy)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)acetamide
CID 122285463
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-naphthalen-1-ylacetamide
CID 122285464
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 6494240
(3S)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122285468
1-(3-chloro-4-methoxyphenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033137

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide (CID 121033055) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide is COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1snnc1C.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is JYVQNBUCEKMIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-10-15(26-22-21-10)16(24)19-12-8-11(4-5-14(12)25-2)13-9-23-7-3-6-18-17(23)20-13/h3-9H,1-2H3,(H,19,24).
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 121033055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).