N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C19H22N4O2S — CID 86866208

IUPACN-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2csc(-c3cnn(C)c3)n2)cc1
InChIInChI=1S/C19H22N4O2S/c1-19(2,14-5-7-15(25-4)8-6-14)12-20-17(24)16-11-26-18(22-16)13-9-21-23(3)10-13/h5-11H,12H2,1-4H3,(H,20,24)
InChIKeyPDSFFNWTRZEOTO-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.26
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 86866208) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID86866208
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2csc(-c3cnn(C)c3)n2)cc1
InChIInChI=1S/C19H22N4O2S/c1-19(2,14-5-7-15(25-4)8-6-14)12-20-17(24)16-11-26-18(22-16)13-9-21-23(3)10-13/h5-11H,12H2,1-4H3,(H,20,24)
InChIKeyPDSFFNWTRZEOTO-UHFFFAOYSA-N
XLogP3.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 86866208) is N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is COc1ccc(C(C)(C)CNC(=O)c2csc(-c3cnn(C)c3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PDSFFNWTRZEOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-19(2,14-5-7-15(25-4)8-6-14)12-20-17(24)16-11-26-18(22-16)13-9-21-23(3)10-13/h5-11H,12H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86866208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).