2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

C16H21N5O2S — CID 120641687

IUPAC2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2ccnc(N3CCOCC3)c2)cs1
InChIInChI=1S/C16H21N5O2S/c17-3-1-15-20-13(11-24-15)16(22)19-10-12-2-4-18-14(9-12)21-5-7-23-8-6-21/h2,4,9,11H,1,3,5-8,10,17H2,(H,19,22)
InChIKeyCGRGJXWEHXFOKF-UHFFFAOYSA-N
MW347.44 g/mol
LogP0.81
Rot. Bonds6

About 2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120641687) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID120641687
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2ccnc(N3CCOCC3)c2)cs1
InChIInChI=1S/C16H21N5O2S/c17-3-1-15-20-13(11-24-15)16(22)19-10-12-2-4-18-14(9-12)21-5-7-23-8-6-21/h2,4,9,11H,1,3,5-8,10,17H2,(H,19,22)
InChIKeyCGRGJXWEHXFOKF-UHFFFAOYSA-N
XLogP0.81
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 120641088
2-(3-chlorophenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 55683273
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
CID 72717065
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
2-(2-aminoethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615950
2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66391054
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53119289
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 120641687) is 2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCc2ccnc(N3CCOCC3)c2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CGRGJXWEHXFOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c17-3-1-15-20-13(11-24-15)16(22)19-10-12-2-4-18-14(9-12)21-5-7-23-8-6-21/h2,4,9,11H,1,3,5-8,10,17H2,(H,19,22).
What are the key properties of 2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120641687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).