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

C10H18ClN3OS — CID 119822773

IUPAC(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)/N=c1\sccn1C.Cl
InChIInChI=1S/C10H17N3OS.ClH/c1-7(2)6-8(11)9(14)12-10-13(3)4-5-15-10;/h4-5,7-8H,6,11H2,1-3H3;1H/b12-10-;/t8-;/m0./s1
InChIKeyAXAAHMHKZLQJSP-QVKADMAKSA-N
MW263.79 g/mol
LogP1.31
Rot. Bonds3

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

(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride (PubChem CID 119822773) has the molecular formula C10H18ClN3OS and a molecular weight of 263.79 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride
PubChem CID119822773
Molecular FormulaC10H18ClN3OS
Molecular Weight263.79 g/mol
Exact Mass263.09
IUPAC Name(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)/N=c1\sccn1C.Cl
InChIInChI=1S/C10H17N3OS.ClH/c1-7(2)6-8(11)9(14)12-10-13(3)4-5-15-10;/h4-5,7-8H,6,11H2,1-3H3;1H/b12-10-;/t8-;/m0./s1
InChIKeyAXAAHMHKZLQJSP-QVKADMAKSA-N
XLogP1.31
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 51.31
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;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride (CID 119822773) is (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)/N=c1\sccn1C.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride?
The InChIKey is AXAAHMHKZLQJSP-QVKADMAKSA-N. The full InChI is InChI=1S/C10H17N3OS.ClH/c1-7(2)6-8(11)9(14)12-10-13(3)4-5-15-10;/h4-5,7-8H,6,11H2,1-3H3;1H/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;hydrochloride?
(2S)-2-amino-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)pentanamide;hydrochloride has a molecular weight of 263.79 g/mol, XLogP of 1.31, 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;hydrochloride is sourced from PubChem (CID 119822773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).