4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide

C13H22N4O3S — CID 116672821

IUPAC4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCN(CCO)C(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C13H22N4O3S/c1-20-8-6-17(5-7-18)12(19)10-11(14)16-13(21-10)15-9-3-2-4-9/h9,18H,2-8,14H2,1H3,(H,15,16)
InChIKeyMQCHECRNGFYQKE-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.77
Rot. Bonds8

About 4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116672821) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
PubChem CID116672821
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCN(CCO)C(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C13H22N4O3S/c1-20-8-6-17(5-7-18)12(19)10-11(14)16-13(21-10)15-9-3-2-4-9/h9,18H,2-8,14H2,1H3,(H,15,16)
InChIKeyMQCHECRNGFYQKE-UHFFFAOYSA-N
XLogP0.77
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672819
4-amino-2-(cyclobutylamino)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664505
4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide
CID 116666277
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
4-amino-N-ethyl-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663472
4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 116666308
4-amino-2-(cyclobutylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665514
4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669863
4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116673185
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672818
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505
4-amino-2-(cyclopropylamino)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116666800

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide (CID 116672821) is 4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide is COCCN(CCO)C(=O)c1sc(NC2CCC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MQCHECRNGFYQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-20-8-6-17(5-7-18)12(19)10-11(14)16-13(21-10)15-9-3-2-4-9/h9,18H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).