N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide

C16H15N5O3S2 — CID 155511579

IUPACN-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
SMILES[H]/N=C1\NC(=O)/C(=C/c2cc(-c3ccc(NS(C)(=O)=O)cc3)cnc2N)S1
InChIInChI=1S/C16H15N5O3S2/c1-26(23,24)21-12-4-2-9(3-5-12)11-6-10(14(17)19-8-11)7-13-15(22)20-16(18)25-13/h2-8,21H,1H3,(H2,17,19)(H2,18,20,22)/b13-7-
InChIKeyBUISTUZYCBVUDY-QPEQYQDCSA-N
MW389.46 g/mol
LogP1.84
Rot. Bonds4

About N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide

N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide (PubChem CID 155511579) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
PubChem CID155511579
Molecular FormulaC16H15N5O3S2
Molecular Weight389.46 g/mol
Exact Mass389.06
IUPAC NameN-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
SMILES[H]/N=C1\NC(=O)/C(=C/c2cc(-c3ccc(NS(C)(=O)=O)cc3)cnc2N)S1
InChIInChI=1S/C16H15N5O3S2/c1-26(23,24)21-12-4-2-9(3-5-12)11-6-10(14(17)19-8-11)7-13-15(22)20-16(18)25-13/h2-8,21H,1H3,(H2,17,19)(H2,18,20,22)/b13-7-
InChIKeyBUISTUZYCBVUDY-QPEQYQDCSA-N
XLogP1.84
TPSA138.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
CID 155512072
N-[4-[2-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
CID 155523946
3-amino-N-[4-[(Z)-[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-pyridinyl]propanamide
CID 134140976
(5Z)-2-(4-ethylphenyl)imino-3-methyl-5-[[2-(pyridin-2-ylamino)-4-pyridinyl]methylidene]-1,3-thiazolidin-4-one
CID 134142431
(5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 134146290
(5Z)-5-[(2-anilino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 134156662
(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834866
N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
CID 155518942
4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide
CID 155541687
(5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 155549000
1-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]-3-methylurea
CID 155564892
N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide
CID 155527152

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide (CID 155511579) is N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide is [H]/N=C1\NC(=O)/C(=C/c2cc(-c3ccc(NS(C)(=O)=O)cc3)cnc2N)S1.
What is the InChIKey of N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is BUISTUZYCBVUDY-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H15N5O3S2/c1-26(23,24)21-12-4-2-9(3-5-12)11-6-10(14(17)19-8-11)7-13-15(22)20-16(18)25-13/h2-8,21H,1H3,(H2,17,19)(H2,18,20,22)/b13-7-.
What are the key properties of N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide?
N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 389.46 g/mol, XLogP of 1.84, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 155511579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).