N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide

C14H18N4O2S2 — CID 95209343

IUPACN'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide
SMILESCc1csc(NC(=O)C(=O)N(C)[C@H](C)c2nc(C)sc2C)n1
InChIInChI=1S/C14H18N4O2S2/c1-7-6-21-14(15-7)17-12(19)13(20)18(5)8(2)11-9(3)22-10(4)16-11/h6,8H,1-5H3,(H,15,17,19)/t8-/m1/s1
InChIKeyJLEKFXJPWDLCRX-MRVPVSSYSA-N
MW338.46 g/mol
LogP2.68
Rot. Bonds3

About N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide

N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide (PubChem CID 95209343) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide
PubChem CID95209343
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC NameN'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide
SMILESCc1csc(NC(=O)C(=O)N(C)[C@H](C)c2nc(C)sc2C)n1
InChIInChI=1S/C14H18N4O2S2/c1-7-6-21-14(15-7)17-12(19)13(20)18(5)8(2)11-9(3)22-10(4)16-11/h6,8H,1-5H3,(H,15,17,19)/t8-/m1/s1
InChIKeyJLEKFXJPWDLCRX-MRVPVSSYSA-N
XLogP2.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 75489540
N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide
CID 108519268
1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 118780443
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea
CID 86861212
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide
CID 124750849
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839667
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997250
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 47124647
5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide
CID 96575331
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 97208137
N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
CID 44997308
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70716880

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide (CID 95209343) is N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide is Cc1csc(NC(=O)C(=O)N(C)[C@H](C)c2nc(C)sc2C)n1.
What is the InChIKey of N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide?
The InChIKey is JLEKFXJPWDLCRX-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-7-6-21-14(15-7)17-12(19)13(20)18(5)8(2)11-9(3)22-10(4)16-11/h6,8H,1-5H3,(H,15,17,19)/t8-/m1/s1.
What are the key properties of N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide?
N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide has a molecular weight of 338.46 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 95209343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).