2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride

C13H24Cl2N4O2S — CID 119659632

IUPAC2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(=O)Nc1nc(C(=O)N(C)CCC(N)C(C)C)cs1.Cl.Cl
InChIInChI=1S/C13H22N4O2S.2ClH/c1-8(2)10(14)5-6-17(4)12(19)11-7-20-13(16-11)15-9(3)18;;/h7-8,10H,5-6,14H2,1-4H3,(H,15,16,18);2*1H
InChIKeyOQJGZLWYUJESJH-UHFFFAOYSA-N
MW371.33 g/mol
LogP2.39
Rot. Bonds6

About 2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride

2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119659632) has the molecular formula C13H24Cl2N4O2S and a molecular weight of 371.33 g/mol. Its IUPAC name is 2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119659632
Molecular FormulaC13H24Cl2N4O2S
Molecular Weight371.33 g/mol
Exact Mass370.10
IUPAC Name2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(=O)Nc1nc(C(=O)N(C)CCC(N)C(C)C)cs1.Cl.Cl
InChIInChI=1S/C13H22N4O2S.2ClH/c1-8(2)10(14)5-6-17(4)12(19)11-7-20-13(16-11)15-9(3)18;;/h7-8,10H,5-6,14H2,1-4H3,(H,15,16,18);2*1H
InChIKeyOQJGZLWYUJESJH-UHFFFAOYSA-N
XLogP2.39
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[(3-amino-4-methylpentyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
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N-(3-amino-4-methylpentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
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2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 64512775
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid
CID 107434591
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CID 115317414
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119658630
N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
CID 119659833
N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119661310
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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119659632) is 2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride is CC(=O)Nc1nc(C(=O)N(C)CCC(N)C(C)C)cs1.Cl.Cl.
What is the InChIKey of 2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is OQJGZLWYUJESJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S.2ClH/c1-8(2)10(14)5-6-17(4)12(19)11-7-20-13(16-11)15-9(3)18;;/h7-8,10H,5-6,14H2,1-4H3,(H,15,16,18);2*1H.
What are the key properties of 2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 371.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119659632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).