2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride

C14H19ClN4OS — CID 119276286

IUPAC2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
SMILESCl.Cn1ccnc1Sc1ccc(NC(=O)C(C)(C)N)cc1
InChIInChI=1S/C14H18N4OS.ClH/c1-14(2,15)12(19)17-10-4-6-11(7-5-10)20-13-16-8-9-18(13)3;/h4-9H,15H2,1-3H3,(H,17,19);1H
InChIKeyQHDQVWZHGXSBGX-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.67
Rot. Bonds4

About 2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride

2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride (PubChem CID 119276286) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
PubChem CID119276286
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
SMILESCl.Cn1ccnc1Sc1ccc(NC(=O)C(C)(C)N)cc1
InChIInChI=1S/C14H18N4OS.ClH/c1-14(2,15)12(19)17-10-4-6-11(7-5-10)20-13-16-8-9-18(13)3;/h4-9H,15H2,1-3H3,(H,17,19);1H
InChIKeyQHDQVWZHGXSBGX-UHFFFAOYSA-N
XLogP2.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 47138421
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CID 120587660
3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride
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N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide
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CID 55497406
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide
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2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 119699001
N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide
CID 100723086
2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 51297425
2-amino-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 61265174
5-ethyl-4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]thiophene-2-carboxamide
CID 55491048
1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 134003334

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride (CID 119276286) is 2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride is Cl.Cn1ccnc1Sc1ccc(NC(=O)C(C)(C)N)cc1.
What is the InChIKey of 2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride?
The InChIKey is QHDQVWZHGXSBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.ClH/c1-14(2,15)12(19)17-10-4-6-11(7-5-10)20-13-16-8-9-18(13)3;/h4-9H,15H2,1-3H3,(H,17,19);1H.
What are the key properties of 2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride?
2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride is sourced from PubChem (CID 119276286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).