2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

C14H20N4O2S — CID 95209682

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H](C)c2nc(C(C)C)no2)s1
InChIInChI=1S/C14H20N4O2S/c1-7(2)13-17-14(20-18-13)9(4)16-12(19)6-11-8(3)15-10(5)21-11/h7,9H,6H2,1-5H3,(H,16,19)/t9-/m0/s1
InChIKeyLHFIYTMXPGDYNI-VIFPVBQESA-N
MW308.41 g/mol
LogP2.69
Rot. Bonds5

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 95209682) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID95209682
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H](C)c2nc(C(C)C)no2)s1
InChIInChI=1S/C14H20N4O2S/c1-7(2)13-17-14(20-18-13)9(4)16-12(19)6-11-8(3)15-10(5)21-11/h7,9H,6H2,1-5H3,(H,16,19)/t9-/m0/s1
InChIKeyLHFIYTMXPGDYNI-VIFPVBQESA-N
XLogP2.69
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95193053
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
CID 110678645
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 99933130
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
CID 58938982
2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95551075
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125436681
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 122558009
5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 131900670
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 136515591
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide
CID 92554601
3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 126446389
N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99942965

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 95209682) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is Cc1nc(C)c(CC(=O)N[C@@H](C)c2nc(C(C)C)no2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is LHFIYTMXPGDYNI-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-7(2)13-17-14(20-18-13)9(4)16-12(19)6-11-8(3)15-10(5)21-11/h7,9H,6H2,1-5H3,(H,16,19)/t9-/m0/s1.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 308.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 95209682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).