(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C17H22ClN3OS — CID 70732379

IUPAC(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)c1nc(CN(C)C(=O)[C@H](N)Cc2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H22ClN3OS/c1-11(2)16-20-14(10-23-16)9-21(3)17(22)15(19)8-12-4-6-13(18)7-5-12/h4-7,10-11,15H,8-9,19H2,1-3H3/t15-/m1/s1
InChIKeyBFKAQSVRNMYOID-OAHLLOKOSA-N
MW351.90 g/mol
LogP3.45
Rot. Bonds6

About (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 70732379) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID70732379
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC Name(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)c1nc(CN(C)C(=O)[C@H](N)Cc2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H22ClN3OS/c1-11(2)16-20-14(10-23-16)9-21(3)17(22)15(19)8-12-4-6-13(18)7-5-12/h4-7,10-11,15H,8-9,19H2,1-3H3/t15-/m1/s1
InChIKeyBFKAQSVRNMYOID-OAHLLOKOSA-N
XLogP3.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 70732379) is (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is CC(C)c1nc(CN(C)C(=O)[C@H](N)Cc2ccc(Cl)cc2)cs1.
What is the InChIKey of (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is BFKAQSVRNMYOID-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22ClN3OS/c1-11(2)16-20-14(10-23-16)9-21(3)17(22)15(19)8-12-4-6-13(18)7-5-12/h4-7,10-11,15H,8-9,19H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 351.90 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 70732379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).