(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide

C10H17N3OS — CID 104903307

IUPAC(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCc1nccs1
InChIInChI=1S/C10H17N3OS/c1-7(2)5-8(11)10(14)13-6-9-12-3-4-15-9/h3-4,7-8H,5-6,11H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyHJRWEXDOEVCWCF-MRVPVSSYSA-N
MW227.33 g/mol
LogP1.13
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide

(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide (PubChem CID 104903307) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
PubChem CID104903307
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCc1nccs1
InChIInChI=1S/C10H17N3OS/c1-7(2)5-8(11)10(14)13-6-9-12-3-4-15-9/h3-4,7-8H,5-6,11H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyHJRWEXDOEVCWCF-MRVPVSSYSA-N
XLogP1.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
CID 61284261
2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682
(2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide
CID 114127505
(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 104908214
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572
2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 114927829
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide (CID 104903307) is (2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide is CC(C)C[C@@H](N)C(=O)NCc1nccs1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The InChIKey is HJRWEXDOEVCWCF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)5-8(11)10(14)13-6-9-12-3-4-15-9/h3-4,7-8H,5-6,11H2,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide has a molecular weight of 227.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide is sourced from PubChem (CID 104903307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).