N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide

C16H20N6O2S — CID 18956295

IUPACN-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2csc(/N=C(\N)N3CCOCC3)n2)n1
InChIInChI=1S/C16H20N6O2S/c1-11(23)18-9-12-3-2-4-13(19-12)14-10-25-16(20-14)21-15(17)22-5-7-24-8-6-22/h2-4,10H,5-9H2,1H3,(H,18,23)(H2,17,20,21)
InChIKeyDGDKDAODDINHLU-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.12
Rot. Bonds4

About N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 18956295) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
PubChem CID18956295
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC NameN-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2csc(/N=C(\N)N3CCOCC3)n2)n1
InChIInChI=1S/C16H20N6O2S/c1-11(23)18-9-12-3-2-4-13(19-12)14-10-25-16(20-14)21-15(17)22-5-7-24-8-6-22/h2-4,10H,5-9H2,1H3,(H,18,23)(H2,17,20,21)
InChIKeyDGDKDAODDINHLU-UHFFFAOYSA-N
XLogP1.12
TPSA105.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride
CID 18953932
N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]-2,2,2-trifluoroacetamide
CID 10382866
N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride
CID 45262727
N-[[2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-4-pyridinyl]methyl]acetamide;dihydrochloride
CID 18953876
2-[4-[6-[[[(E)-1-(methylamino)-2-nitroethenyl]amino]methyl]-2-pyridinyl]-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 45265330
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10661107
N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
CID 18956283
N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124974894
N-[[6-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095581
6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride
CID 18953863
N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019005
methyl N'-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamimidothioate;hydroiodide
CID 67807358

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide (CID 18956295) is N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cccc(-c2csc(/N=C(\N)N3CCOCC3)n2)n1.
What is the InChIKey of N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is DGDKDAODDINHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-11(23)18-9-12-3-2-4-13(19-12)14-10-25-16(20-14)21-15(17)22-5-7-24-8-6-22/h2-4,10H,5-9H2,1H3,(H,18,23)(H2,17,20,21).
What are the key properties of N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 18956295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).