N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C16H21N3O2S2 — CID 37003412

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H21N3O2S2/c1-5-19(8-13(20)18-16(2,3)4)15(21)12-10-23-14(17-12)11-6-7-22-9-11/h6-7,9-10H,5,8H2,1-4H3,(H,18,20)
InChIKeyYCPFPKAVXUTQJJ-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 37003412) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID37003412
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H21N3O2S2/c1-5-19(8-13(20)18-16(2,3)4)15(21)12-10-23-14(17-12)11-6-7-22-9-11/h6-7,9-10H,5,8H2,1-4H3,(H,18,20)
InChIKeyYCPFPKAVXUTQJJ-UHFFFAOYSA-N
XLogP3.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51217435
methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61383522
ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61021131
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24529346
N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38823864
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122802
N-ethyl-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 8683972
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 55554572
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9089274
N-(1-hydroxy-2-methylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 64557574
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 37003412) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is YCPFPKAVXUTQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-5-19(8-13(20)18-16(2,3)4)15(21)12-10-23-14(17-12)11-6-7-22-9-11/h6-7,9-10H,5,8H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 351.50 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 37003412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).