4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide

C12H22N4O2S — CID 116673637

IUPAC4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCCOCC(C)C)s1
InChIInChI=1S/C12H22N4O2S/c1-4-14-12-16-10(13)9(19-12)11(17)15-5-6-18-7-8(2)3/h8H,4-7,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyKQWMFBPFBCWPOC-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.56
Rot. Bonds8

About 4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116673637) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID116673637
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCCOCC(C)C)s1
InChIInChI=1S/C12H22N4O2S/c1-4-14-12-16-10(13)9(19-12)11(17)15-5-6-18-7-8(2)3/h8H,4-7,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyKQWMFBPFBCWPOC-UHFFFAOYSA-N
XLogP1.56
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
4-amino-2-(ethylamino)-N-(2-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 102702187
4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665947
4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664869
4-amino-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665505
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 106343636
4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671828
4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 114469889
4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116665457
2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide (CID 116673637) is 4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NCCOCC(C)C)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KQWMFBPFBCWPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-14-12-16-10(13)9(19-12)11(17)15-5-6-18-7-8(2)3/h8H,4-7,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).