N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide

C10H17N3OS — CID 78969112

IUPACN-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
SMILESCC(C)(C)NC(=O)CNCc1nccs1
InChIInChI=1S/C10H17N3OS/c1-10(2,3)13-8(14)6-11-7-9-12-4-5-15-9/h4-5,11H,6-7H2,1-3H3,(H,13,14)
InChIKeyILEADSTZQALZLL-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.15
Rot. Bonds4

About N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide

N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide (PubChem CID 78969112) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
PubChem CID78969112
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
SMILESCC(C)(C)NC(=O)CNCc1nccs1
InChIInChI=1S/C10H17N3OS/c1-10(2,3)13-8(14)6-11-7-9-12-4-5-15-9/h4-5,11H,6-7H2,1-3H3,(H,13,14)
InChIKeyILEADSTZQALZLL-UHFFFAOYSA-N
XLogP1.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 115615772
methyl 2-(1,3-thiazol-2-ylmethylamino)acetate
CID 61286040
N-tert-butyl-2-(1,3-thiazol-5-ylmethylamino)acetamide
CID 81422252
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate
CID 103714773
2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine
CID 65266835
5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]thiophene-3-carboxylic acid
CID 115356130
N-tert-butyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80527486
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide?
The IUPAC name of N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide (CID 78969112) is N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide?
The canonical SMILES for N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide is CC(C)(C)NC(=O)CNCc1nccs1.
What is the InChIKey of N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide?
The InChIKey is ILEADSTZQALZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-10(2,3)13-8(14)6-11-7-9-12-4-5-15-9/h4-5,11H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide?
N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide has a molecular weight of 227.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide is sourced from PubChem (CID 78969112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).