5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide

C18H18IN5O2S — CID 162650024

IUPAC5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2ccc(I)cc2)sc1-c1cc(C(=O)NN2CCOCC2)n[nH]1
InChIInChI=1S/C18H18IN5O2S/c1-11-16(27-18(20-11)12-2-4-13(19)5-3-12)14-10-15(22-21-14)17(25)23-24-6-8-26-9-7-24/h2-5,10H,6-9H2,1H3,(H,21,22)(H,23,25)
InChIKeyQAMJEFGVLPRHAX-UHFFFAOYSA-N
MW495.35 g/mol
LogP3.09
Rot. Bonds4

About 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide

5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide (PubChem CID 162650024) has the molecular formula C18H18IN5O2S and a molecular weight of 495.35 g/mol. Its IUPAC name is 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide
PubChem CID162650024
Molecular FormulaC18H18IN5O2S
Molecular Weight495.35 g/mol
Exact Mass495.02
IUPAC Name5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2ccc(I)cc2)sc1-c1cc(C(=O)NN2CCOCC2)n[nH]1
InChIInChI=1S/C18H18IN5O2S/c1-11-16(27-18(20-11)12-2-4-13(19)5-3-12)14-10-15(22-21-14)17(25)23-24-6-8-26-9-7-24/h2-5,10H,6-9H2,1H3,(H,21,22)(H,23,25)
InChIKeyQAMJEFGVLPRHAX-UHFFFAOYSA-N
XLogP3.09
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide (CID 162650024) is 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide is Cc1nc(-c2ccc(I)cc2)sc1-c1cc(C(=O)NN2CCOCC2)n[nH]1.
What is the InChIKey of 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide?
The InChIKey is QAMJEFGVLPRHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18IN5O2S/c1-11-16(27-18(20-11)12-2-4-13(19)5-3-12)14-10-15(22-21-14)17(25)23-24-6-8-26-9-7-24/h2-5,10H,6-9H2,1H3,(H,21,22)(H,23,25).
What are the key properties of 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide?
5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide has a molecular weight of 495.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 162650024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).