N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide

C12H17N3OS — CID 79287156

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H17N3OS/c1-5-6-13-7-10(16)15-11-14-9(8-17-11)12(2,3)4/h1,8,13H,6-7H2,2-4H3,(H,14,15,16)
InChIKeyAVMGTEMNZQRSRB-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.60
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79287156) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide
PubChem CID79287156
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H17N3OS/c1-5-6-13-7-10(16)15-11-14-9(8-17-11)12(2,3)4/h1,8,13H,6-7H2,2-4H3,(H,14,15,16)
InChIKeyAVMGTEMNZQRSRB-UHFFFAOYSA-N
XLogP1.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 50965898
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91945783
2-(1-aminocyclobutyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 79854294
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134065032
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetamide
CID 50954634
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide
CID 55121500
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86847878
2-(4-bromophenyl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 16551571
2-(1-benzothiophen-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 142538886

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide (CID 79287156) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is AVMGTEMNZQRSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-5-6-13-7-10(16)15-11-14-9(8-17-11)12(2,3)4/h1,8,13H,6-7H2,2-4H3,(H,14,15,16).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 251.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).