N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide

C16H15IN4O3S — CID 4765478

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3nn(C)cc3I)n2)c1
InChIInChI=1S/C16H15IN4O3S/c1-21-7-11(17)14(20-21)15(22)19-16-18-12(8-25-16)10-6-9(23-2)4-5-13(10)24-3/h4-8H,1-3H3,(H,18,19,22)
InChIKeyRQYSHAIBEWFAGK-UHFFFAOYSA-N
MW470.29 g/mol
LogP3.42
Rot. Bonds5

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 4765478) has the molecular formula C16H15IN4O3S and a molecular weight of 470.29 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID4765478
Molecular FormulaC16H15IN4O3S
Molecular Weight470.29 g/mol
Exact Mass469.99
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3nn(C)cc3I)n2)c1
InChIInChI=1S/C16H15IN4O3S/c1-21-7-11(17)14(20-21)15(22)19-16-18-12(8-25-16)10-6-9(23-2)4-5-13(10)24-3/h4-8H,1-3H3,(H,18,19,22)
InChIKeyRQYSHAIBEWFAGK-UHFFFAOYSA-N
XLogP3.42
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121023820
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3914278
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55754430
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17416997
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 7924940

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide (CID 4765478) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)c3nn(C)cc3I)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is RQYSHAIBEWFAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN4O3S/c1-21-7-11(17)14(20-21)15(22)19-16-18-12(8-25-16)10-6-9(23-2)4-5-13(10)24-3/h4-8H,1-3H3,(H,18,19,22).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 470.29 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 4765478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).