N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride

C12H20ClN3O2S — CID 119521422

IUPACN-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1cccs1)C(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-8(10(16)15-12(2,3)7-13)14-11(17)9-5-4-6-18-9;/h4-6,8H,7,13H2,1-3H3,(H,14,17)(H,15,16);1H
InChIKeyMPIUVCVUFYBQRJ-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.14
Rot. Bonds5

About N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride

N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119521422) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID119521422
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC NameN-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1cccs1)C(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-8(10(16)15-12(2,3)7-13)14-11(17)9-5-4-6-18-9;/h4-6,8H,7,13H2,1-3H3,(H,14,17)(H,15,16);1H
InChIKeyMPIUVCVUFYBQRJ-UHFFFAOYSA-N
XLogP1.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

4-methyl-4-[2-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 62042861
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N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 47798414
N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 104857265
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 119524372
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119585489
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119385819
N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119474452
N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119524473
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride (CID 119521422) is N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride is CC(NC(=O)c1cccs1)C(=O)NC(C)(C)CN.Cl.
What is the InChIKey of N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is MPIUVCVUFYBQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.ClH/c1-8(10(16)15-12(2,3)7-13)14-11(17)9-5-4-6-18-9;/h4-6,8H,7,13H2,1-3H3,(H,14,17)(H,15,16);1H.
What are the key properties of N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119521422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).