2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride

C18H26Cl2N4OS — CID 119888171

IUPAC2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C18H24N4OS.2ClH/c19-16(12-14-6-2-1-3-7-14)17(23)20-9-8-15-13-24-18(21-15)22-10-4-5-11-22;;/h1-3,6-7,13,16H,4-5,8-12,19H2,(H,20,23);2*1H
InChIKeyXNKLOPXOSOBTSL-UHFFFAOYSA-N
MW417.41 g/mol
LogP2.82
Rot. Bonds7

About 2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride

2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride (PubChem CID 119888171) has the molecular formula C18H26Cl2N4OS and a molecular weight of 417.41 g/mol. Its IUPAC name is 2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride
PubChem CID119888171
Molecular FormulaC18H26Cl2N4OS
Molecular Weight417.41 g/mol
Exact Mass416.12
IUPAC Name2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C18H24N4OS.2ClH/c19-16(12-14-6-2-1-3-7-14)17(23)20-9-8-15-13-24-18(21-15)22-10-4-5-11-22;;/h1-3,6-7,13,16H,4-5,8-12,19H2,(H,20,23);2*1H
InChIKeyXNKLOPXOSOBTSL-UHFFFAOYSA-N
XLogP2.82
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119841419
(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119888192
4-amino-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 120565652
2-benzyl-1,1-dimethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111812648
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 86953668
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
3-methyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398163
3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398093
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride (CID 119888171) is 2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride is Cl.Cl.NC(Cc1ccccc1)C(=O)NCCc1csc(N2CCCC2)n1.
What is the InChIKey of 2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is XNKLOPXOSOBTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS.2ClH/c19-16(12-14-6-2-1-3-7-14)17(23)20-9-8-15-13-24-18(21-15)22-10-4-5-11-22;;/h1-3,6-7,13,16H,4-5,8-12,19H2,(H,20,23);2*1H.
What are the key properties of 2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride?
2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 417.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119888171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).