2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide

C9H15N3OS — CID 61467509

IUPAC2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(N)C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C9H15N3OS/c1-4-7(10)8(13)12-9-11-5(2)6(3)14-9/h7H,4,10H2,1-3H3,(H,11,12,13)
InChIKeyITSDIVPDIMXPSU-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.44
Rot. Bonds3

About 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide

2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide (PubChem CID 61467509) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
PubChem CID61467509
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(N)C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C9H15N3OS/c1-4-7(10)8(13)12-9-11-5(2)6(3)14-9/h7H,4,10H2,1-3H3,(H,11,12,13)
InChIKeyITSDIVPDIMXPSU-UHFFFAOYSA-N
XLogP1.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119269701
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 115976440
2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 47098598
2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 43470560
2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 46305496
4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 64888760
(2R)-2-amino-N-(thiatriazol-5-yl)butanamide
CID 104982974
(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 79025534
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223
2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide
CID 115432443

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide (CID 61467509) is 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide is CCC(N)C(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is ITSDIVPDIMXPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-4-7(10)8(13)12-9-11-5(2)6(3)14-9/h7H,4,10H2,1-3H3,(H,11,12,13).
What are the key properties of 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 213.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 61467509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).