2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride

C10H19Cl2N3OS — CID 119892019

IUPAC2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
SMILESCCC(C)(NC(=O)CN)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C10H17N3OS.2ClH/c1-4-10(3,13-8(14)5-11)9-12-7(2)6-15-9;;/h6H,4-5,11H2,1-3H3,(H,13,14);2*1H
InChIKeyQTYHVVXVMDSBJL-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride

2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride (PubChem CID 119892019) has the molecular formula C10H19Cl2N3OS and a molecular weight of 300.26 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
PubChem CID119892019
Molecular FormulaC10H19Cl2N3OS
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC Name2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
SMILESCCC(C)(NC(=O)CN)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C10H17N3OS.2ClH/c1-4-10(3,13-8(14)5-11)9-12-7(2)6-15-9;;/h6H,4-5,11H2,1-3H3,(H,13,14);2*1H
InChIKeyQTYHVVXVMDSBJL-UHFFFAOYSA-N
XLogP2.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 119892020
2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
CID 120647240
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892013
2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide
CID 119892016
2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186173
3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoyl]benzoic acid
CID 97328440
methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71986453
2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide
CID 95903901
3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide
CID 97025274
2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119858736
3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
CID 95903874
2,2,2-trifluoro-N-[3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propyl]acetamide
CID 97095547

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride (CID 119892019) is 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride is CCC(C)(NC(=O)CN)c1nc(C)cs1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride?
The InChIKey is QTYHVVXVMDSBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.2ClH/c1-4-10(3,13-8(14)5-11)9-12-7(2)6-15-9;;/h6H,4-5,11H2,1-3H3,(H,13,14);2*1H.
What are the key properties of 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride?
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride has a molecular weight of 300.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119892019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).