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

C14H19Cl2N3OS — CID 120595863

IUPAC2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
SMILESCc1ncc(CNC(=O)C(C)(N)c2ccccc2)s1.Cl.Cl
InChIInChI=1S/C14H17N3OS.2ClH/c1-10-16-8-12(19-10)9-17-13(18)14(2,15)11-6-4-3-5-7-11;;/h3-8H,9,15H2,1-2H3,(H,17,18);2*1H
InChIKeyRZJXGNPGPDDNEY-UHFFFAOYSA-N
MW348.30 g/mol
LogP2.79
Rot. Bonds4

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

2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120595863) has the molecular formula C14H19Cl2N3OS and a molecular weight of 348.30 g/mol. Its IUPAC name is 2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120595863
Molecular FormulaC14H19Cl2N3OS
Molecular Weight348.30 g/mol
Exact Mass347.06
IUPAC Name2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
SMILESCc1ncc(CNC(=O)C(C)(N)c2ccccc2)s1.Cl.Cl
InChIInChI=1S/C14H17N3OS.2ClH/c1-10-16-8-12(19-10)9-17-13(18)14(2,15)11-6-4-3-5-7-11;;/h3-8H,9,15H2,1-2H3,(H,17,18);2*1H
InChIKeyRZJXGNPGPDDNEY-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597319
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597144
2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 62489621
2-amino-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280646
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590598
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide
CID 62487194
2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588017
2-amino-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 55078393
2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 76897490
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride (CID 120595863) is 2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride is Cc1ncc(CNC(=O)C(C)(N)c2ccccc2)s1.Cl.Cl.
What is the InChIKey of 2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is RZJXGNPGPDDNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.2ClH/c1-10-16-8-12(19-10)9-17-13(18)14(2,15)11-6-4-3-5-7-11;;/h3-8H,9,15H2,1-2H3,(H,17,18);2*1H.
What are the key properties of 2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 348.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120595863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).