N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide

C15H21N3OS2 — CID 71868953

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCC(C)(NCC(=O)NCc1sccc1C)c1nccs1
InChIInChI=1S/C15H21N3OS2/c1-4-15(3,14-16-6-8-21-14)18-10-13(19)17-9-12-11(2)5-7-20-12/h5-8,18H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyFKXOKEOFUXJNBL-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.04
Rot. Bonds7

About N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide

N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide (PubChem CID 71868953) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
PubChem CID71868953
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCC(C)(NCC(=O)NCc1sccc1C)c1nccs1
InChIInChI=1S/C15H21N3OS2/c1-4-15(3,14-16-6-8-21-14)18-10-13(19)17-9-12-11(2)5-7-20-12/h5-8,18H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyFKXOKEOFUXJNBL-UHFFFAOYSA-N
XLogP3.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide with MolForge

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Related Compounds

N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 95783742
N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 124741779
4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 32988009
1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901396
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932006
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 146085866
N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 122132301
1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
CID 97095551
2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide (CID 71868953) is N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide is CCC(C)(NCC(=O)NCc1sccc1C)c1nccs1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The InChIKey is FKXOKEOFUXJNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-4-15(3,14-16-6-8-21-14)18-10-13(19)17-9-12-11(2)5-7-20-12/h5-8,18H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide has a molecular weight of 323.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide is sourced from PubChem (CID 71868953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).