4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

C12H20N4O3S — CID 116668887

IUPAC4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C12H20N4O3S/c1-18-6-4-14-12-16-10(13)9(20-12)11(17)15-7-8-3-2-5-19-8/h8H,2-7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyADQAYLJWRDUWLN-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.69
Rot. Bonds7

About 4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116668887) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID116668887
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C12H20N4O3S/c1-18-6-4-14-12-16-10(13)9(20-12)11(17)15-7-8-3-2-5-19-8/h8H,2-7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyADQAYLJWRDUWLN-UHFFFAOYSA-N
XLogP0.69
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
4-amino-N-[2-(oxolan-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664626
4-amino-N-(3-amino-3-oxopropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116670183
4-amino-N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116666572
4-amino-N-(3-ethoxypropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116668830
4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673066
4-amino-N-(2-methoxycyclopentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116665167
4-amino-N-(5-hydroxypentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 107324454
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 95394528
2-(methoxymethyl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110374795
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462
4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673108

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 116668887) is 4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is COCCNc1nc(N)c(C(=O)NCC2CCCO2)s1.
What is the InChIKey of 4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ADQAYLJWRDUWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-18-6-4-14-12-16-10(13)9(20-12)11(17)15-7-8-3-2-5-19-8/h8H,2-7,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).