2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride

C14H18ClN3OS — CID 170893495

IUPAC2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1c(-c2ccccc2)nc2n1CCS2
InChIInChI=1S/C14H17N3OS.ClH/c15-11(9-18)8-12-13(10-4-2-1-3-5-10)16-14-17(12)6-7-19-14;/h1-5,11,18H,6-9,15H2;1H
InChIKeyYFGWJEXAJDJTPV-UHFFFAOYSA-N
MW311.84 g/mol
LogP1.94
Rot. Bonds4

About 2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride

2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride (PubChem CID 170893495) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride
PubChem CID170893495
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1c(-c2ccccc2)nc2n1CCS2
InChIInChI=1S/C14H17N3OS.ClH/c15-11(9-18)8-12-13(10-4-2-1-3-5-10)16-14-17(12)6-7-19-14;/h1-5,11,18H,6-9,15H2;1H
InChIKeyYFGWJEXAJDJTPV-UHFFFAOYSA-N
XLogP1.94
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride (CID 170893495) is 2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1c(-c2ccccc2)nc2n1CCS2.
What is the InChIKey of 2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride?
The InChIKey is YFGWJEXAJDJTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c15-11(9-18)8-12-13(10-4-2-1-3-5-10)16-14-17(12)6-7-19-14;/h1-5,11,18H,6-9,15H2;1H.
What are the key properties of 2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride?
2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170893495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).