2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide

C13H23N3O2S — CID 111664801

IUPAC2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NCC(O)C(CC)CC)s1
InChIInChI=1S/C13H23N3O2S/c1-4-9(5-2)10(17)7-15-12(18)11-8-16-13(19-11)14-6-3/h8-10,17H,4-7H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyKCGVTXSLSOVXQQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.10
Rot. Bonds8

About 2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide

2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide (PubChem CID 111664801) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide
PubChem CID111664801
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NCC(O)C(CC)CC)s1
InChIInChI=1S/C13H23N3O2S/c1-4-9(5-2)10(17)7-15-12(18)11-8-16-13(19-11)14-6-3/h8-10,17H,4-7H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyKCGVTXSLSOVXQQ-UHFFFAOYSA-N
XLogP2.10
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide
CID 75435847
N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
CID 103658212
N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide
CID 107261964
N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 75496100
2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 110907781
6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide
CID 103719398
2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75436787
N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 113248507
N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
CID 103803885
N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111115819
2-(ethylamino)-N-[1-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-5-carboxamide
CID 110004120
2-(3,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-5-carboxamide
CID 110021613

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide (CID 111664801) is 2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)NCC(O)C(CC)CC)s1.
What is the InChIKey of 2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KCGVTXSLSOVXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-9(5-2)10(17)7-15-12(18)11-8-16-13(19-11)14-6-3/h8-10,17H,4-7H2,1-3H3,(H,14,16)(H,15,18).
What are the key properties of 2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide?
2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111664801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).