(2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide

C13H23N3OS — CID 56867772

IUPAC(2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide
SMILESCCc1nc(C)sc1CNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H23N3OS/c1-5-11-12(18-9(4)16-11)7-15-13(17)10(14)6-8(2)3/h8,10H,5-7,14H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyULHSTIONUWEAHX-SNVBAGLBSA-N
MW269.41 g/mol
LogP2.00
Rot. Bonds6

About (2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide

(2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide (PubChem CID 56867772) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide
PubChem CID56867772
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name(2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide
SMILESCCc1nc(C)sc1CNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H23N3OS/c1-5-11-12(18-9(4)16-11)7-15-13(17)10(14)6-8(2)3/h8,10H,5-7,14H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyULHSTIONUWEAHX-SNVBAGLBSA-N
XLogP2.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 94195848
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 56823158
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 7196991
(3R*,5R*)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72839345
N~1~-methyl-N~1~-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-L-isoleucinamide
CID 90648049
3-methyl-N~1~-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-L-valinamide
CID 90650663
N~2~-methyl-N~1~-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-L-valinamide
CID 90652047
N~2~-[(dimethylamino)carbonyl]-N~1~-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]glycinamide
CID 91794831
(3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 97272582
N-(4,4-difluorocyclohexyl)-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 175397021
N-(4,4-difluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 175397237
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 47317384

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide (CID 56867772) is (2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide is CCc1nc(C)sc1CNC(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide?
The InChIKey is ULHSTIONUWEAHX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-11-12(18-9(4)16-11)7-15-13(17)10(14)6-8(2)3/h8,10H,5-7,14H2,1-4H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide?
(2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide has a molecular weight of 269.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methylpentanamide is sourced from PubChem (CID 56867772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).