N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride

C15H28Cl2N4O2S — CID 119606563

IUPACN-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
SMILESCC(C)C(=O)Nc1nc(CC(=O)NC(C)(CN)C(C)C)cs1.Cl.Cl
InChIInChI=1S/C15H26N4O2S.2ClH/c1-9(2)13(21)18-14-17-11(7-22-14)6-12(20)19-15(5,8-16)10(3)4;;/h7,9-10H,6,8,16H2,1-5H3,(H,19,20)(H,17,18,21);2*1H
InChIKeyMATOXLAJLNUNIE-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.61
Rot. Bonds7

About N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride

N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride (PubChem CID 119606563) has the molecular formula C15H28Cl2N4O2S and a molecular weight of 399.39 g/mol. Its IUPAC name is N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
PubChem CID119606563
Molecular FormulaC15H28Cl2N4O2S
Molecular Weight399.39 g/mol
Exact Mass398.13
IUPAC NameN-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
SMILESCC(C)C(=O)Nc1nc(CC(=O)NC(C)(CN)C(C)C)cs1.Cl.Cl
InChIInChI=1S/C15H26N4O2S.2ClH/c1-9(2)13(21)18-14-17-11(7-22-14)6-12(20)19-15(5,8-16)10(3)4;;/h7,9-10H,6,8,16H2,1-5H3,(H,19,20)(H,17,18,21);2*1H
InChIKeyMATOXLAJLNUNIE-UHFFFAOYSA-N
XLogP2.61
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119609012
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119609013
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 119606699
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 119605524
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119607011
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CID 119607540
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119608519
2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 56503754
N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 47067702
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119608769
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride?
The IUPAC name of N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride (CID 119606563) is N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride.
What is the SMILES notation for N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride?
The canonical SMILES for N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride is CC(C)C(=O)Nc1nc(CC(=O)NC(C)(CN)C(C)C)cs1.Cl.Cl.
What is the InChIKey of N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride?
The InChIKey is MATOXLAJLNUNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S.2ClH/c1-9(2)13(21)18-14-17-11(7-22-14)6-12(20)19-15(5,8-16)10(3)4;;/h7,9-10H,6,8,16H2,1-5H3,(H,19,20)(H,17,18,21);2*1H.
What are the key properties of N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride?
N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride has a molecular weight of 399.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119606563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).