(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide

C10H17N3OS — CID 119822774

IUPAC(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide
SMILESCC(C)C[C@H](N)C(=O)/N=c1\sccn1C
InChIInChI=1S/C10H17N3OS/c1-7(2)6-8(11)9(14)12-10-13(3)4-5-15-10/h4-5,7-8H,6,11H2,1-3H3/b12-10-/t8-/m0/s1
InChIKeyRJWNABHDXZOLPK-UGFBRPNYSA-N
MW227.33 g/mol
LogP0.89
Rot. Bonds3

About (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide

(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide (PubChem CID 119822774) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide
PubChem CID119822774
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide
SMILESCC(C)C[C@H](N)C(=O)/N=c1\sccn1C
InChIInChI=1S/C10H17N3OS/c1-7(2)6-8(11)9(14)12-10-13(3)4-5-15-10/h4-5,7-8H,6,11H2,1-3H3/b12-10-/t8-/m0/s1
InChIKeyRJWNABHDXZOLPK-UGFBRPNYSA-N
XLogP0.89
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide (CID 119822774) is (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide is CC(C)C[C@H](N)C(=O)/N=c1\sccn1C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide?
The InChIKey is RJWNABHDXZOLPK-UGFBRPNYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)6-8(11)9(14)12-10-13(3)4-5-15-10/h4-5,7-8H,6,11H2,1-3H3/b12-10-/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide?
(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide has a molecular weight of 227.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide is sourced from PubChem (CID 119822774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).