(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide

C16H29N3OS — CID 70942572

IUPAC(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide
SMILESC[C@@H](NC(=O)[C@@H](NCc1nccs1)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H29N3OS/c1-11(15(2,3)4)19-14(20)13(16(5,6)7)18-10-12-17-8-9-21-12/h8-9,11,13,18H,10H2,1-7H3,(H,19,20)/t11-,13-/m1/s1
InChIKeyYYAFQPCPUNJSBL-DGCLKSJQSA-N
MW311.50 g/mol
LogP3.20
Rot. Bonds5

About (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide

(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide (PubChem CID 70942572) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide
PubChem CID70942572
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide
SMILESC[C@@H](NC(=O)[C@@H](NCc1nccs1)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H29N3OS/c1-11(15(2,3)4)19-14(20)13(16(5,6)7)18-10-12-17-8-9-21-12/h8-9,11,13,18H,10H2,1-7H3,(H,19,20)/t11-,13-/m1/s1
InChIKeyYYAFQPCPUNJSBL-DGCLKSJQSA-N
XLogP3.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide with MolForge

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Related Compounds

(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide
CID 58012732
3-ethyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
CID 63843307
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560
4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
CID 61285626
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
(2S)-3-methyl-2-(1,3-thiazol-2-ylmethylcarbamoylamino)butanoic acid
CID 54963020
N-(1,3-thiazol-2-ylmethyl)pentan-3-amine
CID 46784226
N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide
CID 58012738
4,5,5-trimethyl-1-(1,3-thiazol-2-yl)hexan-2-one
CID 115786460
2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 61284440
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide?
The IUPAC name of (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide (CID 70942572) is (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide.
What is the SMILES notation for (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide?
The canonical SMILES for (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide is C[C@@H](NC(=O)[C@@H](NCc1nccs1)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide?
The InChIKey is YYAFQPCPUNJSBL-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-11(15(2,3)4)19-14(20)13(16(5,6)7)18-10-12-17-8-9-21-12/h8-9,11,13,18H,10H2,1-7H3,(H,19,20)/t11-,13-/m1/s1.
What are the key properties of (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide?
(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide has a molecular weight of 311.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide is sourced from PubChem (CID 70942572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).