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

C20H21N3O2S — CID 53389630

IUPACN-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C20H21N3O2S/c1-12(2)25-16-9-13(3)18(14(4)10-16)17-11-26-20(22-17)23-19(24)15-5-7-21-8-6-15/h5-12H,1-4H3,(H,22,23,24)
InChIKeyFGXOJZDWXAQMCS-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.86
Rot. Bonds5

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

N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 53389630) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID53389630
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C20H21N3O2S/c1-12(2)25-16-9-13(3)18(14(4)10-16)17-11-26-20(22-17)23-19(24)15-5-7-21-8-6-15/h5-12H,1-4H3,(H,22,23,24)
InChIKeyFGXOJZDWXAQMCS-UHFFFAOYSA-N
XLogP4.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.86
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-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 53389630) is N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1.
What is the InChIKey of N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is FGXOJZDWXAQMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-12(2)25-16-9-13(3)18(14(4)10-16)17-11-26-20(22-17)23-19(24)15-5-7-21-8-6-15/h5-12H,1-4H3,(H,22,23,24).
What are the key properties of N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.86, 5 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-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 53389630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).