(2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride

C11H20ClN3OS — CID 119339118

IUPAC(2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
SMILESCc1nc(CC(C)C)c(NC(=O)[C@@H](C)N)s1.Cl
InChIInChI=1S/C11H19N3OS.ClH/c1-6(2)5-9-11(16-8(4)13-9)14-10(15)7(3)12;/h6-7H,5,12H2,1-4H3,(H,14,15);1H/t7-;/m1./s1
InChIKeyGYXKEQMXMJLHFG-OGFXRTJISA-N
MW277.82 g/mol
LogP2.36
Rot. Bonds4

About (2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride

(2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride (PubChem CID 119339118) has the molecular formula C11H20ClN3OS and a molecular weight of 277.82 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
PubChem CID119339118
Molecular FormulaC11H20ClN3OS
Molecular Weight277.82 g/mol
Exact Mass277.10
IUPAC Name(2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
SMILESCc1nc(CC(C)C)c(NC(=O)[C@@H](C)N)s1.Cl
InChIInChI=1S/C11H19N3OS.ClH/c1-6(2)5-9-11(16-8(4)13-9)14-10(15)7(3)12;/h6-7H,5,12H2,1-4H3,(H,14,15);1H/t7-;/m1./s1
InChIKeyGYXKEQMXMJLHFG-OGFXRTJISA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride (CID 119339118) is (2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride is Cc1nc(CC(C)C)c(NC(=O)[C@@H](C)N)s1.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride?
The InChIKey is GYXKEQMXMJLHFG-OGFXRTJISA-N. The full InChI is InChI=1S/C11H19N3OS.ClH/c1-6(2)5-9-11(16-8(4)13-9)14-10(15)7(3)12;/h6-7H,5,12H2,1-4H3,(H,14,15);1H/t7-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 119339118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).