N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide

C21H23N3O2S — CID 19224461

IUPACN-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
SMILESCCCCOc1ccc(-c2csc(NC(=O)c3cc(C)cc(C)n3)n2)cc1
InChIInChI=1S/C21H23N3O2S/c1-4-5-10-26-17-8-6-16(7-9-17)19-13-27-21(23-19)24-20(25)18-12-14(2)11-15(3)22-18/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,24,25)
InChIKeyUELAYTRZUYSXHA-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.25
Rot. Bonds7

About N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide

N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide (PubChem CID 19224461) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
PubChem CID19224461
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
SMILESCCCCOc1ccc(-c2csc(NC(=O)c3cc(C)cc(C)n3)n2)cc1
InChIInChI=1S/C21H23N3O2S/c1-4-5-10-26-17-8-6-16(7-9-17)19-13-27-21(23-19)24-20(25)18-12-14(2)11-15(3)22-18/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,24,25)
InChIKeyUELAYTRZUYSXHA-UHFFFAOYSA-N
XLogP5.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224419
4,6-dimethyl-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 19224462
2,5-dimethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4591779
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197481
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590
2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 42111320
4,5-dibromo-N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19197494
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide (CID 19224461) is N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide is CCCCOc1ccc(-c2csc(NC(=O)c3cc(C)cc(C)n3)n2)cc1.
What is the InChIKey of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide?
The InChIKey is UELAYTRZUYSXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-4-5-10-26-17-8-6-16(7-9-17)19-13-27-21(23-19)24-20(25)18-12-14(2)11-15(3)22-18/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,24,25).
What are the key properties of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide?
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 19224461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).