1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide

C12H21N5OS — CID 106325265

IUPAC1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)NCCN2CCSCC2)c1
InChIInChI=1S/C12H21N5OS/c13-1-3-17-9-11(15-10-17)12(18)14-2-4-16-5-7-19-8-6-16/h9-10H,1-8,13H2,(H,14,18)
InChIKeyQFCIKAVBITUOPY-UHFFFAOYSA-N
MW283.40 g/mol
LogP-0.38
Rot. Bonds6

About 1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide (PubChem CID 106325265) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide
PubChem CID106325265
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)NCCN2CCSCC2)c1
InChIInChI=1S/C12H21N5OS/c13-1-3-17-9-11(15-10-17)12(18)14-2-4-16-5-7-19-8-6-16/h9-10H,1-8,13H2,(H,14,18)
InChIKeyQFCIKAVBITUOPY-UHFFFAOYSA-N
XLogP-0.38
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide (CID 106325265) is 1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide is NCCn1cnc(C(=O)NCCN2CCSCC2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide?
The InChIKey is QFCIKAVBITUOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c13-1-3-17-9-11(15-10-17)12(18)14-2-4-16-5-7-19-8-6-16/h9-10H,1-8,13H2,(H,14,18).
What are the key properties of 1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide is sourced from PubChem (CID 106325265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).