N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide

C14H24N4O2S — CID 56805014

IUPACN-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)CC(=O)N(C)c1nccs1
InChIInChI=1S/C14H24N4O2S/c1-6-18(9-11(19)16-14(2,3)4)10-12(20)17(5)13-15-7-8-21-13/h7-8H,6,9-10H2,1-5H3,(H,16,19)
InChIKeyHFHJVQYFVPRHRT-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.34
Rot. Bonds6

About N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide

N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide (PubChem CID 56805014) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide
PubChem CID56805014
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)CC(=O)N(C)c1nccs1
InChIInChI=1S/C14H24N4O2S/c1-6-18(9-11(19)16-14(2,3)4)10-12(20)17(5)13-15-7-8-21-13/h7-8H,6,9-10H2,1-5H3,(H,16,19)
InChIKeyHFHJVQYFVPRHRT-UHFFFAOYSA-N
XLogP1.34
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide (CID 56805014) is N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide is CCN(CC(=O)NC(C)(C)C)CC(=O)N(C)c1nccs1.
What is the InChIKey of N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide?
The InChIKey is HFHJVQYFVPRHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-6-18(9-11(19)16-14(2,3)4)10-12(20)17(5)13-15-7-8-21-13/h7-8H,6,9-10H2,1-5H3,(H,16,19).
What are the key properties of N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide?
N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-[2-[methyl(1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 56805014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).