N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C21H25N3O3S — CID 8873197

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cc(C)n(C(C)C)c3C)n2)c1
InChIInChI=1S/C21H25N3O3S/c1-12(2)24-13(3)9-16(14(24)4)20(25)23-21-22-18(11-28-21)17-10-15(26-5)7-8-19(17)27-6/h7-12H,1-6H3,(H,22,23,25)
InChIKeyHZZZOLGLGZEPRF-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.08
Rot. Bonds6

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 8873197) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID8873197
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cc(C)n(C(C)C)c3C)n2)c1
InChIInChI=1S/C21H25N3O3S/c1-12(2)24-13(3)9-16(14(24)4)20(25)23-21-22-18(11-28-21)17-10-15(26-5)7-8-19(17)27-6/h7-12H,1-6H3,(H,22,23,25)
InChIKeyHZZZOLGLGZEPRF-UHFFFAOYSA-N
XLogP5.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 26242208
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121023820
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
CID 2114849
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 2102481
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 39092880
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]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55754430
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42994672
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]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 8873197) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C)n(C(C)C)c3C)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is HZZZOLGLGZEPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-12(2)24-13(3)9-16(14(24)4)20(25)23-21-22-18(11-28-21)17-10-15(26-5)7-8-19(17)27-6/h7-12H,1-6H3,(H,22,23,25).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 8873197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).