3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride

C17H25Cl2N3OS — CID 119953989

IUPAC3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride
SMILESCc1nc(C(C)(C)NC(=O)CC(N)c2ccccc2)sc1C.Cl.Cl
InChIInChI=1S/C17H23N3OS.2ClH/c1-11-12(2)22-16(19-11)17(3,4)20-15(21)10-14(18)13-8-6-5-7-9-13;;/h5-9,14H,10,18H2,1-4H3,(H,20,21);2*1H
InChIKeyPSPUXTDKNXABMJ-UHFFFAOYSA-N
MW390.38 g/mol
LogP4.04
Rot. Bonds5

About 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride

3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119953989) has the molecular formula C17H25Cl2N3OS and a molecular weight of 390.38 g/mol. Its IUPAC name is 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride
PubChem CID119953989
Molecular FormulaC17H25Cl2N3OS
Molecular Weight390.38 g/mol
Exact Mass389.11
IUPAC Name3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride
SMILESCc1nc(C(C)(C)NC(=O)CC(N)c2ccccc2)sc1C.Cl.Cl
InChIInChI=1S/C17H23N3OS.2ClH/c1-11-12(2)22-16(19-11)17(3,4)20-15(21)10-14(18)13-8-6-5-7-9-13;;/h5-9,14H,10,18H2,1-4H3,(H,20,21);2*1H
InChIKeyPSPUXTDKNXABMJ-UHFFFAOYSA-N
XLogP4.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119953291
3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119951541
3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119951812
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride
CID 120504074
ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951175
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide
CID 119951809
3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
CID 119953282
3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952059
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
CID 82724007
3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 122080681
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoate
CID 119950043

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride (CID 119953989) is 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride is Cc1nc(C(C)(C)NC(=O)CC(N)c2ccccc2)sc1C.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is PSPUXTDKNXABMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS.2ClH/c1-11-12(2)22-16(19-11)17(3,4)20-15(21)10-14(18)13-8-6-5-7-9-13;;/h5-9,14H,10,18H2,1-4H3,(H,20,21);2*1H.
What are the key properties of 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 390.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119953989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).