2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide

C16H27N3O2S — CID 4063558

IUPAC2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide
SMILESCCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)C(C)(C)C
InChIInChI=1S/C16H27N3O2S/c1-6-7-8-9-19(14(21)16(3,4)5)10-13(20)18-15-17-12(2)11-22-15/h11H,6-10H2,1-5H3,(H,17,18,20)
InChIKeyKJORBBSPYFJQPZ-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.45
Rot. Bonds7

About 2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide

2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide (PubChem CID 4063558) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide
PubChem CID4063558
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide
SMILESCCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)C(C)(C)C
InChIInChI=1S/C16H27N3O2S/c1-6-7-8-9-19(14(21)16(3,4)5)10-13(20)18-15-17-12(2)11-22-15/h11H,6-10H2,1-5H3,(H,17,18,20)
InChIKeyKJORBBSPYFJQPZ-UHFFFAOYSA-N
XLogP3.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 5078551
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
2-chloro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4076397
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 3558431
N-butyl-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42663883
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide
CID 4188240
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30273255
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-pentylbenzamide
CID 5064343
2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 111112405
N-hexyl-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42769041
2-[ethyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123515

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide (CID 4063558) is 2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide is CCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide?
The InChIKey is KJORBBSPYFJQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-6-7-8-9-19(14(21)16(3,4)5)10-13(20)18-15-17-12(2)11-22-15/h11H,6-10H2,1-5H3,(H,17,18,20).
What are the key properties of 2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide?
2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide has a molecular weight of 325.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide is sourced from PubChem (CID 4063558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).