(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide

C11H19N3OS — CID 79013002

IUPAC(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCC(C)c1csc(NC(=O)[C@H](N)C(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-6(2)8-5-16-11(13-8)14-10(15)9(12)7(3)4/h5-7,9H,12H2,1-4H3,(H,13,14,15)/t9-/m1/s1
InChIKeyJHHICUNNIRRRIP-SECBINFHSA-N
MW241.36 g/mol
LogP2.19
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide

(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 79013002) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID79013002
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCC(C)c1csc(NC(=O)[C@H](N)C(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-6(2)8-5-16-11(13-8)14-10(15)9(12)7(3)4/h5-7,9H,12H2,1-4H3,(H,13,14,15)/t9-/m1/s1
InChIKeyJHHICUNNIRRRIP-SECBINFHSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 54958530
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 103794300
3-amino-2,2,3-trimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 65270029
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
(2R)-2-amino-3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78985596
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 61482708
2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119266420
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide
CID 64557263
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
2-amino-3-methyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119270264

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide (CID 79013002) is (2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide is CC(C)c1csc(NC(=O)[C@H](N)C(C)C)n1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is JHHICUNNIRRRIP-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-6(2)8-5-16-11(13-8)14-10(15)9(12)7(3)4/h5-7,9H,12H2,1-4H3,(H,13,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide?
(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 241.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 79013002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).