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

C15H21Cl2N3OS — CID 119954007

IUPAC3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
SMILESCCC(NC(=O)CC(N)c1ccccc1)c1nccs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-2-13(15-17-8-9-20-15)18-14(19)10-12(16)11-6-4-3-5-7-11;;/h3-9,12-13H,2,10,16H2,1H3,(H,18,19);2*1H
InChIKeyVBWBFHOHUUHONM-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.64
Rot. Bonds6

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

3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride (PubChem CID 119954007) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
PubChem CID119954007
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
SMILESCCC(NC(=O)CC(N)c1ccccc1)c1nccs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-2-13(15-17-8-9-20-15)18-14(19)10-12(16)11-6-4-3-5-7-11;;/h3-9,12-13H,2,10,16H2,1H3,(H,18,19);2*1H
InChIKeyVBWBFHOHUUHONM-UHFFFAOYSA-N
XLogP3.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119890751
2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120597101
3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119953291
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
CID 107030803
4-amino-4-phenyl-1-(1,3-thiazol-2-yl)butan-2-one
CID 116552998
(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
3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119952385
2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
CID 91765781
3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408213

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride (CID 119954007) is 3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride is CCC(NC(=O)CC(N)c1ccccc1)c1nccs1.Cl.Cl.
What is the InChIKey of 3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
The InChIKey is VBWBFHOHUUHONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-2-13(15-17-8-9-20-15)18-14(19)10-12(16)11-6-4-3-5-7-11;;/h3-9,12-13H,2,10,16H2,1H3,(H,18,19);2*1H.
What are the key properties of 3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride is sourced from PubChem (CID 119954007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).