2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

C15H22N6OS — CID 167888715

IUPAC2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NC2CCN(c3nccn3C)CC2)s1
InChIInChI=1S/C15H22N6OS/c1-3-16-14-18-10-12(23-14)13(22)19-11-4-7-21(8-5-11)15-17-6-9-20(15)2/h6,9-11H,3-5,7-8H2,1-2H3,(H,16,18)(H,19,22)
InChIKeyWJHLJRZQMHQYKM-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.71
Rot. Bonds5

About 2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 167888715) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID167888715
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NC2CCN(c3nccn3C)CC2)s1
InChIInChI=1S/C15H22N6OS/c1-3-16-14-18-10-12(23-14)13(22)19-11-4-7-21(8-5-11)15-17-6-9-20(15)2/h6,9-11H,3-5,7-8H2,1-2H3,(H,16,18)(H,19,22)
InChIKeyWJHLJRZQMHQYKM-UHFFFAOYSA-N
XLogP1.71
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine
CID 55256485
ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
CID 62131854
N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 75496100
ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 48590358
methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid
CID 66798756
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
CID 86891667
5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 130505258
[1-(1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 62132388
2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide
CID 75435847
2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 126770959
2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 67019715
2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide
CID 138997042

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 167888715) is 2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)NC2CCN(c3nccn3C)CC2)s1.
What is the InChIKey of 2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is WJHLJRZQMHQYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-3-16-14-18-10-12(23-14)13(22)19-11-4-7-21(8-5-11)15-17-6-9-20(15)2/h6,9-11H,3-5,7-8H2,1-2H3,(H,16,18)(H,19,22).
What are the key properties of 2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167888715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).