3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride

C13H25Cl2N3OS — CID 119879489

IUPAC3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC(C)c1nc(C(C)(C)C)cs1.Cl.Cl
InChIInChI=1S/C13H23N3OS.2ClH/c1-8(14)6-11(17)15-9(2)12-16-10(7-18-12)13(3,4)5;;/h7-9H,6,14H2,1-5H3,(H,15,17);2*1H
InChIKeyUKDDAGMXXLFDTK-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.20
Rot. Bonds4

About 3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride

3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride (PubChem CID 119879489) has the molecular formula C13H25Cl2N3OS and a molecular weight of 342.34 g/mol. Its IUPAC name is 3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
PubChem CID119879489
Molecular FormulaC13H25Cl2N3OS
Molecular Weight342.34 g/mol
Exact Mass341.11
IUPAC Name3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC(C)c1nc(C(C)(C)C)cs1.Cl.Cl
InChIInChI=1S/C13H23N3OS.2ClH/c1-8(14)6-11(17)15-9(2)12-16-10(7-18-12)13(3,4)5;;/h7-9H,6,14H2,1-5H3,(H,15,17);2*1H
InChIKeyUKDDAGMXXLFDTK-UHFFFAOYSA-N
XLogP3.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentanecarboxamide
CID 56782260
1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 111106616
N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 95337061
N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95297523
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide
CID 95614206
1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111506063
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56782264
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide
CID 55121500
1-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95331761
N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95614454

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride (CID 119879489) is 3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride is CC(N)CC(=O)NC(C)c1nc(C(C)(C)C)cs1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride?
The InChIKey is UKDDAGMXXLFDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS.2ClH/c1-8(14)6-11(17)15-9(2)12-16-10(7-18-12)13(3,4)5;;/h7-9H,6,14H2,1-5H3,(H,15,17);2*1H.
What are the key properties of 3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride?
3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride has a molecular weight of 342.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119879489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).