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

C15H21N3OS2 — CID 124750849

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide
SMILESCc1nc(CC(=O)N(C)[C@@H](C)c2nc(C)sc2C)c(C)s1
InChIInChI=1S/C15H21N3OS2/c1-8(15-10(3)21-12(5)17-15)18(6)14(19)7-13-9(2)20-11(4)16-13/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyFASNDSUZHBVIOI-QMMMGPOBSA-N
MW323.49 g/mol
LogP3.60
Rot. Bonds4

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

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide (PubChem CID 124750849) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide
PubChem CID124750849
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide
SMILESCc1nc(CC(=O)N(C)[C@@H](C)c2nc(C)sc2C)c(C)s1
InChIInChI=1S/C15H21N3OS2/c1-8(15-10(3)21-12(5)17-15)18(6)14(19)7-13-9(2)20-11(4)16-13/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyFASNDSUZHBVIOI-QMMMGPOBSA-N
XLogP3.60
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
CID 70765723
3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide
CID 118766185
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 70753269
2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid
CID 79268255
5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide
CID 96575331
1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 118780443
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 43310810
4-chloro-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 126425178
N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 50971715
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 91839447
3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide
CID 124855101
3-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]propanoic acid
CID 65058660

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide?
The IUPAC name of 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) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide is Cc1nc(CC(=O)N(C)[C@@H](C)c2nc(C)sc2C)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide?
The InChIKey is FASNDSUZHBVIOI-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-8(15-10(3)21-12(5)17-15)18(6)14(19)7-13-9(2)20-11(4)16-13/h8H,7H2,1-6H3/t8-/m0/s1.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide has a molecular weight of 323.49 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 124750849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).