N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride

C18H28Cl2N4O3S — CID 119599066

IUPACN-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
SMILESCc1occc1C(=O)Nc1nc(CC(=O)NC(C)(CN)CC(C)C)cs1.Cl.Cl
InChIInChI=1S/C18H26N4O3S.2ClH/c1-11(2)8-18(4,10-19)22-15(23)7-13-9-26-17(20-13)21-16(24)14-5-6-25-12(14)3;;/h5-6,9,11H,7-8,10,19H2,1-4H3,(H,22,23)(H,20,21,24);2*1H
InChIKeyIBGZCKZRAPKHGG-UHFFFAOYSA-N
MW451.42 g/mol
LogP3.56
Rot. Bonds8

About N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride

N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride (PubChem CID 119599066) has the molecular formula C18H28Cl2N4O3S and a molecular weight of 451.42 g/mol. Its IUPAC name is N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
PubChem CID119599066
Molecular FormulaC18H28Cl2N4O3S
Molecular Weight451.42 g/mol
Exact Mass450.13
IUPAC NameN-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
SMILESCc1occc1C(=O)Nc1nc(CC(=O)NC(C)(CN)CC(C)C)cs1.Cl.Cl
InChIInChI=1S/C18H26N4O3S.2ClH/c1-11(2)8-18(4,10-19)22-15(23)7-13-9-26-17(20-13)21-16(24)14-5-6-25-12(14)3;;/h5-6,9,11H,7-8,10,19H2,1-4H3,(H,22,23)(H,20,21,24);2*1H
InChIKeyIBGZCKZRAPKHGG-UHFFFAOYSA-N
XLogP3.56
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
CID 119603182
2-methyl-N-[4-[2-[3-(methylamino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide;dihydrochloride
CID 119432117
2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119042005
N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 119477021
N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 51955538
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119598856
N-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488883
N-[4-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 60510799
N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488414
N-[4-[2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 51955751
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119600151

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride (CID 119599066) is N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride is Cc1occc1C(=O)Nc1nc(CC(=O)NC(C)(CN)CC(C)C)cs1.Cl.Cl.
What is the InChIKey of N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride?
The InChIKey is IBGZCKZRAPKHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S.2ClH/c1-11(2)8-18(4,10-19)22-15(23)7-13-9-26-17(20-13)21-16(24)14-5-6-25-12(14)3;;/h5-6,9,11H,7-8,10,19H2,1-4H3,(H,22,23)(H,20,21,24);2*1H.
What are the key properties of N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride?
N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride has a molecular weight of 451.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119599066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).