3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide

C14H17N3OS — CID 110388696

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1nc(CCC(=O)NCc2ccccn2)sc1C
InChIInChI=1S/C14H17N3OS/c1-10-11(2)19-14(17-10)7-6-13(18)16-9-12-5-3-4-8-15-12/h3-5,8H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyIZSUUSLNHIGZHG-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.40
Rot. Bonds5

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 110388696) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID110388696
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1nc(CCC(=O)NCc2ccccn2)sc1C
InChIInChI=1S/C14H17N3OS/c1-10-11(2)19-14(17-10)7-6-13(18)16-9-12-5-3-4-8-15-12/h3-5,8H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyIZSUUSLNHIGZHG-UHFFFAOYSA-N
XLogP2.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823
3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110388436
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 110441535
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 120550517
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N-(pyridin-2-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35511571
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110739127
3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35762699
methyl 4-methyl-2-[[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]amino]-1,3-thiazole-5-carboxylate
CID 75465416

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 110388696) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide is Cc1nc(CCC(=O)NCc2ccccn2)sc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is IZSUUSLNHIGZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-11(2)19-14(17-10)7-6-13(18)16-9-12-5-3-4-8-15-12/h3-5,8H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 275.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 110388696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).