2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride

C15H21Cl2N3OS — CID 120597101

IUPAC2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
SMILESCCC(NC(=O)C(C)(N)c1ccccc1)c1nccs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-3-12(13-17-9-10-20-13)18-14(19)15(2,16)11-7-5-4-6-8-11;;/h4-10,12H,3,16H2,1-2H3,(H,18,19);2*1H
InChIKeyDMIQCBAPZZJDBP-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.43
Rot. Bonds5

About 2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride

2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride (PubChem CID 120597101) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
PubChem CID120597101
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
SMILESCCC(NC(=O)C(C)(N)c1ccccc1)c1nccs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-3-12(13-17-9-10-20-13)18-14(19)15(2,16)11-7-5-4-6-8-11;;/h4-10,12H,3,16H2,1-2H3,(H,18,19);2*1H
InChIKeyDMIQCBAPZZJDBP-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119954007
2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119890751
2,2-dimethyl-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 79624178
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
(2R)-3,3-dimethyl-2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]butanoic acid
CID 103928082
2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 107472241
2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride
CID 120594633
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124596949
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride (CID 120597101) is 2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride is CCC(NC(=O)C(C)(N)c1ccccc1)c1nccs1.Cl.Cl.
What is the InChIKey of 2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
The InChIKey is DMIQCBAPZZJDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-3-12(13-17-9-10-20-13)18-14(19)15(2,16)11-7-5-4-6-8-11;;/h4-10,12H,3,16H2,1-2H3,(H,18,19);2*1H.
What are the key properties of 2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride is sourced from PubChem (CID 120597101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).