2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid

C10H16N2O3S — CID 16642038

IUPAC2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCCOCCCNc1nc(CC(=O)O)cs1
InChIInChI=1S/C10H16N2O3S/c1-2-15-5-3-4-11-10-12-8(7-16-10)6-9(13)14/h7H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyPEZWDBJDAUUWID-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.61
Rot. Bonds8

About 2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 16642038) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID16642038
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCCOCCCNc1nc(CC(=O)O)cs1
InChIInChI=1S/C10H16N2O3S/c1-2-15-5-3-4-11-10-12-8(7-16-10)6-9(13)14/h7H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyPEZWDBJDAUUWID-UHFFFAOYSA-N
XLogP1.61
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate
CID 82947003
2-amino-2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527437
2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155763
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate
CID 80575758
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106044576
2-[2-[3-(N-methylanilino)propylamino]-1,3-thiazol-4-yl]acetic acid
CID 80573782
2-[2-[[(E)-18-oxooctadec-9-enyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 173274566
2-[2-(2-methylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576968
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid
CID 80574969
ethyl 2-[2-(3-methylsulfanylpropylamino)-1,3-thiazol-4-yl]acetate
CID 80576085

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid (CID 16642038) is 2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid is CCOCCCNc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PEZWDBJDAUUWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-15-5-3-4-11-10-12-8(7-16-10)6-9(13)14/h7H,2-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 244.32 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 16642038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).