2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid

C12H17N3O3S — CID 43656504

IUPAC2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid
SMILESCC(=O)Nc1nc(CN(CC(=O)O)CC2CC2)cs1
InChIInChI=1S/C12H17N3O3S/c1-8(16)13-12-14-10(7-19-12)5-15(6-11(17)18)4-9-2-3-9/h7,9H,2-6H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyKAFKXBLKXKIPRE-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.40
Rot. Bonds7

About 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid

2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656504) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID43656504
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid
SMILESCC(=O)Nc1nc(CN(CC(=O)O)CC2CC2)cs1
InChIInChI=1S/C12H17N3O3S/c1-8(16)13-12-14-10(7-19-12)5-15(6-11(17)18)4-9-2-3-9/h7,9H,2-6H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyKAFKXBLKXKIPRE-UHFFFAOYSA-N
XLogP1.40
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid with MolForge

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Related Compounds

N-[4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 60694759
3-[(2-acetamido-1,3-thiazol-4-yl)methyl-ethylamino]butanoic acid
CID 62826038
N-[4-[[ethyl(piperidin-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 54923162
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 61231729
4-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236613
N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 104979408
4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 108726497
2-[cyclopropylmethyl-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid
CID 43656513
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid
CID 66189953
2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid
CID 43656694

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid (CID 43656504) is 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid is CC(=O)Nc1nc(CN(CC(=O)O)CC2CC2)cs1.
What is the InChIKey of 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is KAFKXBLKXKIPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8(16)13-12-14-10(7-19-12)5-15(6-11(17)18)4-9-2-3-9/h7,9H,2-6H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid?
2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).