N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide

C14H20N4O2S — CID 135087601

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1nc(C(C)(C)C)cs1)Cc1ccon1
InChIInChI=1S/C14H20N4O2S/c1-14(2,3)11-9-21-13(15-11)16-12(19)8-18(4)7-10-5-6-20-17-10/h5-6,9H,7-8H2,1-4H3,(H,15,16,19)
InChIKeyITTGHYVYNRKMFV-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.50
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide (PubChem CID 135087601) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide
PubChem CID135087601
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1nc(C(C)(C)C)cs1)Cc1ccon1
InChIInChI=1S/C14H20N4O2S/c1-14(2,3)11-9-21-13(15-11)16-12(19)8-18(4)7-10-5-6-20-17-10/h5-6,9H,7-8H2,1-4H3,(H,15,16,19)
InChIKeyITTGHYVYNRKMFV-UHFFFAOYSA-N
XLogP2.50
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 56649138
2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 38303726
N-(1-isoxazol-3-ylethyl)-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 86284071
4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 138031216
N'-methyl-4-(1,2-oxazol-3-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 109503596
N'-methyl-4-(1,2-oxazol-3-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboximidamide
CID 109503597
N-ethyl-4-(1,2-oxazol-3-ylmethyl)-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboximidamide;hydroiodide
CID 109503624
N-ethyl-4-(1,2-oxazol-3-ylmethyl)-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboximidamide
CID 109503625
N-ethyl-4-(1,2-oxazol-3-ylmethyl)-N'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 109507074
N-ethyl-4-(1,2-oxazol-3-ylmethyl)-N'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboximidamide
CID 109507075
N'-methyl-4-(1,2-oxazol-3-ylmethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboximidamide;hydroiodide
CID 109507090
N'-methyl-4-(1,2-oxazol-3-ylmethyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboximidamide
CID 109507091

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide (CID 135087601) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide is CN(CC(=O)Nc1nc(C(C)(C)C)cs1)Cc1ccon1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide?
The InChIKey is ITTGHYVYNRKMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-14(2,3)11-9-21-13(15-11)16-12(19)8-18(4)7-10-5-6-20-17-10/h5-6,9H,7-8H2,1-4H3,(H,15,16,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide has a molecular weight of 308.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 135087601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).