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

C12H22ClN3OS — CID 154752113

IUPAC(2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N(C)CCc1nccs1.Cl
InChIInChI=1S/C12H21N3OS.ClH/c1-9(2)8-10(13)12(16)15(3)6-4-11-14-5-7-17-11;/h5,7,9-10H,4,6,8,13H2,1-3H3;1H/t10-;/m0./s1
InChIKeyBEPYYAWLZGXOMY-PPHPATTJSA-N
MW291.85 g/mol
LogP1.94
Rot. Bonds6

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

(2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride (PubChem CID 154752113) has the molecular formula C12H22ClN3OS and a molecular weight of 291.85 g/mol. Its IUPAC name is (2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride
PubChem CID154752113
Molecular FormulaC12H22ClN3OS
Molecular Weight291.85 g/mol
Exact Mass291.12
IUPAC Name(2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N(C)CCc1nccs1.Cl
InChIInChI=1S/C12H21N3OS.ClH/c1-9(2)8-10(13)12(16)15(3)6-4-11-14-5-7-17-11;/h5,7,9-10H,4,6,8,13H2,1-3H3;1H/t10-;/m0./s1
InChIKeyBEPYYAWLZGXOMY-PPHPATTJSA-N
XLogP1.94
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110715967
3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 75387967
4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110742660
2-amino-N,4-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858881
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
CID 132972140
N-methyl-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110715989
3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110715983
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
CID 119687384
(2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide
CID 119867897
(2S)-2-amino-N-(2-methoxyethyl)-N,4-dimethylpentanamide
CID 61159296
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110742655

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride (CID 154752113) is (2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)N(C)CCc1nccs1.Cl.
What is the InChIKey of (2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride?
The InChIKey is BEPYYAWLZGXOMY-PPHPATTJSA-N. The full InChI is InChI=1S/C12H21N3OS.ClH/c1-9(2)8-10(13)12(16)15(3)6-4-11-14-5-7-17-11;/h5,7,9-10H,4,6,8,13H2,1-3H3;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride?
(2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride has a molecular weight of 291.85 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 154752113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).