N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C21H23N3O2S — CID 58442398

IUPACN-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(OCC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C21H23N3O2S/c1-13(2)11-26-17-9-14(3)19(15(4)10-17)18-12-27-21(23-18)24-20(25)16-5-7-22-8-6-16/h5-10,12-13H,11H2,1-4H3,(H,23,24,25)
InChIKeyYIXVNJIOWHNFMV-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.11
Rot. Bonds6

About N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 58442398) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID58442398
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(OCC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C21H23N3O2S/c1-13(2)11-26-17-9-14(3)19(15(4)10-17)18-12-27-21(23-18)24-20(25)16-5-7-22-8-6-16/h5-10,12-13H,11H2,1-4H3,(H,23,24,25)
InChIKeyYIXVNJIOWHNFMV-UHFFFAOYSA-N
XLogP5.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 4803142
N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832012
2-{3-[3-(Piperidin-4-Yl)propoxy]phenyl}-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 60097413
2-(3-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 16305869
Acetic acid 4-[2-(pyridin-2-ylamino)-thiazol-4-yl]-phenyl ester
CID 972354
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(3-methyl-pyridin-2-yl)-amine
CID 972796
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
4-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660435
N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
N-(4-(pyridin-2-yl)thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 5199136
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 58442398) is N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cc(OCC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1.
What is the InChIKey of N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is YIXVNJIOWHNFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-13(2)11-26-17-9-14(3)19(15(4)10-17)18-12-27-21(23-18)24-20(25)16-5-7-22-8-6-16/h5-10,12-13H,11H2,1-4H3,(H,23,24,25).
What are the key properties of N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 58442398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).