2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C14H18N4O2S — CID 66388692

IUPAC2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCCCn1cc(NC(=O)c2csc(CCN)n2)ccc1=O
InChIInChI=1S/C14H18N4O2S/c1-2-7-18-8-10(3-4-13(18)19)16-14(20)11-9-21-12(17-11)5-6-15/h3-4,8-9H,2,5-7,15H2,1H3,(H,16,20)
InChIKeyDOQJTGXRTOAMCP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.47
Rot. Bonds6

About 2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 66388692) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID66388692
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCCCn1cc(NC(=O)c2csc(CCN)n2)ccc1=O
InChIInChI=1S/C14H18N4O2S/c1-2-7-18-8-10(3-4-13(18)19)16-14(20)11-9-21-12(17-11)5-6-15/h3-4,8-9H,2,5-7,15H2,1H3,(H,16,20)
InChIKeyDOQJTGXRTOAMCP-UHFFFAOYSA-N
XLogP1.47
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66390582
1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide
CID 107496780
2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120617738
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 47066160
2-(2-aminoethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617100
N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide
CID 47339542
2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298
2-(2-aminoethyl)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
CID 120645695
2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66372668
2-(2-aminoethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120619249
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 66388692) is 2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide is CCCn1cc(NC(=O)c2csc(CCN)n2)ccc1=O.
What is the InChIKey of 2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DOQJTGXRTOAMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-2-7-18-8-10(3-4-13(18)19)16-14(20)11-9-21-12(17-11)5-6-15/h3-4,8-9H,2,5-7,15H2,1H3,(H,16,20).
What are the key properties of 2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).