2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide

C18H17N3OS — CID 108748693

IUPAC2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C18H17N3OS/c1-12(2)17(22)20-15-5-3-4-14(10-15)16-11-23-18(21-16)13-6-8-19-9-7-13/h3-12H,1-2H3,(H,20,22)
InChIKeyMFWOJCTXOKHYDB-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.47
Rot. Bonds4

About 2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide

2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 108748693) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID108748693
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C18H17N3OS/c1-12(2)17(22)20-15-5-3-4-14(10-15)16-11-23-18(21-16)13-6-8-19-9-7-13/h3-12H,1-2H3,(H,20,22)
InChIKeyMFWOJCTXOKHYDB-UHFFFAOYSA-N
XLogP4.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770580
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286196
N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
CID 108770678
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 21358360
[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea
CID 169358392
2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 5100026
3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748675
3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748690
3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770590
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748751
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086466

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide (CID 108748693) is 2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide is CC(C)C(=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1.
What is the InChIKey of 2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is MFWOJCTXOKHYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12(2)17(22)20-15-5-3-4-14(10-15)16-11-23-18(21-16)13-6-8-19-9-7-13/h3-12H,1-2H3,(H,20,22).
What are the key properties of 2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide?
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 323.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 108748693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).