(2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide

C10H17N3OS — CID 119891761

IUPAC(2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1nc(CCNC(=O)[C@@H](C)N)sc1C
InChIInChI=1S/C10H17N3OS/c1-6(11)10(14)12-5-4-9-13-7(2)8(3)15-9/h6H,4-5,11H2,1-3H3,(H,12,14)/t6-/m1/s1
InChIKeyRUSFVSFNQGCNQC-ZCFIWIBFSA-N
MW227.33 g/mol
LogP0.77
Rot. Bonds4

About (2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide

(2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 119891761) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID119891761
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1nc(CCNC(=O)[C@@H](C)N)sc1C
InChIInChI=1S/C10H17N3OS/c1-6(11)10(14)12-5-4-9-13-7(2)8(3)15-9/h6H,4-5,11H2,1-3H3,(H,12,14)/t6-/m1/s1
InChIKeyRUSFVSFNQGCNQC-ZCFIWIBFSA-N
XLogP0.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide
CID 119891763
2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 110460143
4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 120565744
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 97122807
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065703
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide
CID 119061685
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide;hydrochloride
CID 119272631
2-(4-aminophenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119891738
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine
CID 115729046
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72882189
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 91760478

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 119891761) is (2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide is Cc1nc(CCNC(=O)[C@@H](C)N)sc1C.
What is the InChIKey of (2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is RUSFVSFNQGCNQC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(11)10(14)12-5-4-9-13-7(2)8(3)15-9/h6H,4-5,11H2,1-3H3,(H,12,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide?
(2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 227.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 119891761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).