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

C11H19N3OS — CID 115615772

IUPACN-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNCc1nccs1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)14-9(15)4-5-12-8-10-13-6-7-16-10/h6-7,12H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyMQADCOPVQGWIFV-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.54
Rot. Bonds5

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

N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide (PubChem CID 115615772) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide
PubChem CID115615772
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNCc1nccs1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)14-9(15)4-5-12-8-10-13-6-7-16-10/h6-7,12H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyMQADCOPVQGWIFV-UHFFFAOYSA-N
XLogP1.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
CID 78969112
N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 63002028
2-(1,3-thiazol-2-ylmethylamino)ethylurea
CID 83110656
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61283283
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560
N-tert-butyl-3-[(5-nitrothiophen-3-yl)methylamino]propanamide
CID 112689884
methyl 2-(1,3-thiazol-2-ylmethylamino)acetate
CID 61286040
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
tert-butyl N-[[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244277
N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 112689875

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide (CID 115615772) is N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide is CC(C)(C)NC(=O)CCNCc1nccs1.
What is the InChIKey of N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide?
The InChIKey is MQADCOPVQGWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,3)14-9(15)4-5-12-8-10-13-6-7-16-10/h6-7,12H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide?
N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide has a molecular weight of 241.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide is sourced from PubChem (CID 115615772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).