5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

C10H13N3O3S — CID 79401944

IUPAC5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)CNC2CC2)c1C(=O)O
InChIInChI=1S/C10H13N3O3S/c1-5-8(10(15)16)9(17-13-5)12-7(14)4-11-6-2-3-6/h6,11H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyMAVMYRQIQSDQNB-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.84
Rot. Bonds5

About 5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79401944) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79401944
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)CNC2CC2)c1C(=O)O
InChIInChI=1S/C10H13N3O3S/c1-5-8(10(15)16)9(17-13-5)12-7(14)4-11-6-2-3-6/h6,11H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyMAVMYRQIQSDQNB-UHFFFAOYSA-N
XLogP0.84
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402488
3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 79402732
5-[(3-amino-3-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402261
5-[(3,4-dimethylcyclohexyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402940
3-methyl-5-[(2-propan-2-yloxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
CID 112602057
3-methyl-5-(3-methylpentanoylamino)-1,2-thiazole-4-carboxylic acid
CID 114873656
5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869186
3-methyl-5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60868642
5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402566
3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid
CID 103065148
5-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 104678413
5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401946

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79401944) is 5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)CNC2CC2)c1C(=O)O.
What is the InChIKey of 5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is MAVMYRQIQSDQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-5-8(10(15)16)9(17-13-5)12-7(14)4-11-6-2-3-6/h6,11H,2-4H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79401944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).