(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride

C13H24ClN3OS — CID 154902008

IUPAC(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)NCCCc1nc(C)cs1.Cl
InChIInChI=1S/C13H23N3OS.ClH/c1-4-9(2)12(14)13(17)15-7-5-6-11-16-10(3)8-18-11;/h8-9,12H,4-7,14H2,1-3H3,(H,15,17);1H/t9-,12-;/m0./s1
InChIKeyVWRCMPPLBJTNGZ-CSDGMEMJSA-N
MW305.88 g/mol
LogP2.30
Rot. Bonds7

About (2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride

(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride (PubChem CID 154902008) has the molecular formula C13H24ClN3OS and a molecular weight of 305.88 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride
PubChem CID154902008
Molecular FormulaC13H24ClN3OS
Molecular Weight305.88 g/mol
Exact Mass305.13
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)NCCCc1nc(C)cs1.Cl
InChIInChI=1S/C13H23N3OS.ClH/c1-4-9(2)12(14)13(17)15-7-5-6-11-16-10(3)8-18-11;/h8-9,12H,4-7,14H2,1-3H3,(H,15,17);1H/t9-,12-;/m0./s1
InChIKeyVWRCMPPLBJTNGZ-CSDGMEMJSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.88
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
(2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 98314597
3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 116552853
2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 81089104
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
(2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide
CID 125176822
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
CID 63240116
3-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]pentanoic acid
CID 63241161
(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride
CID 119696612

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride (CID 154902008) is (2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride is CC[C@H](C)[C@H](N)C(=O)NCCCc1nc(C)cs1.Cl.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride?
The InChIKey is VWRCMPPLBJTNGZ-CSDGMEMJSA-N. The full InChI is InChI=1S/C13H23N3OS.ClH/c1-4-9(2)12(14)13(17)15-7-5-6-11-16-10(3)8-18-11;/h8-9,12H,4-7,14H2,1-3H3,(H,15,17);1H/t9-,12-;/m0./s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride?
(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride has a molecular weight of 305.88 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 154902008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).