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

C13H22N4O3S — CID 116664744

IUPAC4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NCC2CCCOC2)s1
InChIInChI=1S/C13H22N4O3S/c1-19-6-4-15-13-17-11(14)10(21-13)12(18)16-7-9-3-2-5-20-8-9/h9H,2-8,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyWFYKYHPZXATTNG-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.94
Rot. Bonds7

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

4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116664744) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID116664744
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NCC2CCCOC2)s1
InChIInChI=1S/C13H22N4O3S/c1-19-6-4-15-13-17-11(14)10(21-13)12(18)16-7-9-3-2-5-20-8-9/h9H,2-8,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyWFYKYHPZXATTNG-UHFFFAOYSA-N
XLogP0.94
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.94
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-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668887
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-(cyclopentylmethyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669781
4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665988
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673108
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-[2-(dimethylamino)-2-oxoethyl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116669742
4-amino-N-(5-hydroxypentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 107324454

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 116664744) is 4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide is COCCNc1nc(N)c(C(=O)NCC2CCCOC2)s1.
What is the InChIKey of 4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WFYKYHPZXATTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-19-6-4-15-13-17-11(14)10(21-13)12(18)16-7-9-3-2-5-20-8-9/h9H,2-8,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.94, 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-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).