4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide

C12H22N4O2S — CID 106118701

IUPAC4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCCCC(CCO)CNC(=O)c1sc(NC)nc1N
InChIInChI=1S/C12H22N4O2S/c1-3-4-8(5-6-17)7-15-11(18)9-10(13)16-12(14-2)19-9/h8,17H,3-7,13H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyROTGCTABZDRDFE-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.30
Rot. Bonds8

About 4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 106118701) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID106118701
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCCCC(CCO)CNC(=O)c1sc(NC)nc1N
InChIInChI=1S/C12H22N4O2S/c1-3-4-8(5-6-17)7-15-11(18)9-10(13)16-12(14-2)19-9/h8,17H,3-7,13H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyROTGCTABZDRDFE-UHFFFAOYSA-N
XLogP1.30
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide
CID 102909085
4-amino-N-(3-hydroxypropyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665439
4-amino-N-(4-hydroxy-2-methylbutyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671133
4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665199
4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide
CID 106029168
4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 116673105
4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667150
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116671150
4-amino-N-(5-amino-5-oxopentyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106242070
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106343628
4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116667308

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 106118701) is 4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is CCCC(CCO)CNC(=O)c1sc(NC)nc1N.
What is the InChIKey of 4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ROTGCTABZDRDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-4-8(5-6-17)7-15-11(18)9-10(13)16-12(14-2)19-9/h8,17H,3-7,13H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of 4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.30, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106118701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).