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

C11H16N2O2S — CID 114358453

IUPAC2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(C(N)C2CC2)sc1C(=O)O
InChIInChI=1S/C11H16N2O2S/c1-2-3-7-9(11(14)15)16-10(13-7)8(12)6-4-5-6/h6,8H,2-5,12H2,1H3,(H,14,15)
InChIKeyGHPBKHDEQJSCJY-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.20
Rot. Bonds5

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

2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114358453) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID114358453
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(C(N)C2CC2)sc1C(=O)O
InChIInChI=1S/C11H16N2O2S/c1-2-3-7-9(11(14)15)16-10(13-7)8(12)6-4-5-6/h6,8H,2-5,12H2,1H3,(H,14,15)
InChIKeyGHPBKHDEQJSCJY-UHFFFAOYSA-N
XLogP2.20
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(ethoxy)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359644
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
ethyl 5-acetyl-2-[amino(cyclopropyl)methyl]-1,3-thiazole-4-carboxylate
CID 107380026
2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 55112748
2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359658
2-[cyclopropyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360410
2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid
CID 19885485
2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432460
2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63938356
2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358418
2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764931

Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid (CID 114358453) is 2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(C(N)C2CC2)sc1C(=O)O.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is GHPBKHDEQJSCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-3-7-9(11(14)15)16-10(13-7)8(12)6-4-5-6/h6,8H,2-5,12H2,1H3,(H,14,15).
What are the key properties of 2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114358453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).