3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide

C9H15N3OS — CID 62668943

IUPAC3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCC(CN)C(=O)N(C)Cc1cscn1
InChIInChI=1S/C9H15N3OS/c1-7(3-10)9(13)12(2)4-8-5-14-6-11-8/h5-7H,3-4,10H2,1-2H3
InChIKeyVLFRGJMFORDOTG-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.70
Rot. Bonds4

About 3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide

3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 62668943) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID62668943
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCC(CN)C(=O)N(C)Cc1cscn1
InChIInChI=1S/C9H15N3OS/c1-7(3-10)9(13)12(2)4-8-5-14-6-11-8/h5-7H,3-4,10H2,1-2H3
InChIKeyVLFRGJMFORDOTG-UHFFFAOYSA-N
XLogP0.70
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
3-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-oxobutanoic acid
CID 64896543
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 81087719
(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 104908271
2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 116677484
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 115287084
2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 62669220
3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 63583188
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 113308943
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 62668943) is 3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide is CC(CN)C(=O)N(C)Cc1cscn1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is VLFRGJMFORDOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7(3-10)9(13)12(2)4-8-5-14-6-11-8/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 213.31 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 62668943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).