(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide

C16H21N3OS2 — CID 157018683

IUPAC(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCSC(C)(C)[C@H](N)C(=O)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21N3OS2/c1-16(2,21-3)14(17)15(20)18-9-13-19-12(10-22-13)11-7-5-4-6-8-11/h4-8,10,14H,9,17H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyABCMSAVBLDQGOA-CQSZACIVSA-N
MW335.50 g/mol
LogP2.90
Rot. Bonds6

About (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide

(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide (PubChem CID 157018683) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
PubChem CID157018683
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC Name(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCSC(C)(C)[C@H](N)C(=O)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21N3OS2/c1-16(2,21-3)14(17)15(20)18-9-13-19-12(10-22-13)11-7-5-4-6-8-11/h4-8,10,14H,9,17H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyABCMSAVBLDQGOA-CQSZACIVSA-N
XLogP2.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
CID 94796279
(2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
CID 94796280
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
2-methoxy-2-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 56785329
N-tert-butyl-2-[[N'-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111385311
tert-butyl N-[2-[[N'-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884901
2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 62899206
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
(2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride
CID 163340668
2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
4-methylsulfanyl-3-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 112841598
(2R)-N-benzyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837092

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide (CID 157018683) is (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide is CSC(C)(C)[C@H](N)C(=O)NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide?
The InChIKey is ABCMSAVBLDQGOA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-16(2,21-3)14(17)15(20)18-9-13-19-12(10-22-13)11-7-5-4-6-8-11/h4-8,10,14H,9,17H2,1-3H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide?
(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide has a molecular weight of 335.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 157018683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).