(2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide

C12H21N3OS — CID 166445261

IUPAC(2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide
SMILESCN[C@H](C)C(=O)N[C@@H](CC(C)C)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-8(2)7-10(12-14-5-6-17-12)15-11(16)9(3)13-4/h5-6,8-10,13H,7H2,1-4H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyKCEWWCUYXKQODU-ZJUUUORDSA-N
MW255.39 g/mol
LogP1.95
Rot. Bonds6

About (2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide

(2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide (PubChem CID 166445261) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is (2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide
PubChem CID166445261
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name(2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide
SMILESCN[C@H](C)C(=O)N[C@@H](CC(C)C)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-8(2)7-10(12-14-5-6-17-12)15-11(16)9(3)13-4/h5-6,8-10,13H,7H2,1-4H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyKCEWWCUYXKQODU-ZJUUUORDSA-N
XLogP1.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Dysidenin
CID 10007601
Neodysidenin
CID 15482063
Ac-Lys-Arg-Leu-Arg-thiazol-2-yl
CID 118721649
Ac-Arg-Lys-Leu-Arg-thiazol-2-yl
CID 118721659
Ac-Leu-Arg-thiazol-2-yl
CID 127042543
Ac-Leu-D-Arg-thiazol-2-yl
CID 127042544
N-((S)-1-((S)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-4-methylpentanamide
CID 44453326
(S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-2-ureido-butyramide
CID 44453367
5,5,5-trichloro-4-methyl-2-[methyl-(4,4,4-trichloro-3-methylbutanoyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 128257
5,5,5-trichloro-N,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-[(4,4,4-trichloro-3-methylbutanoyl)amino]pentanamide
CID 73196124
(2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamoyl}-2-methylpropyl]-2-acetamido-4-methylpentanamide
CID 16098905
4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide
CID 6857702

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide?
The IUPAC name of (2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide (CID 166445261) is (2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide.
What is the SMILES notation for (2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide?
The canonical SMILES for (2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide is CN[C@H](C)C(=O)N[C@@H](CC(C)C)c1nccs1.
What is the InChIKey of (2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide?
The InChIKey is KCEWWCUYXKQODU-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(2)7-10(12-14-5-6-17-12)15-11(16)9(3)13-4/h5-6,8-10,13H,7H2,1-4H3,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of (2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide?
(2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide has a molecular weight of 255.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide is sourced from PubChem (CID 166445261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).