N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide

C11H12N6S — CID 88671972

IUPACN'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide
SMILESN/C=N/c1cccc(-c2csc(N=C(N)N)n2)c1
InChIInChI=1S/C11H12N6S/c12-6-15-8-3-1-2-7(4-8)9-5-18-11(16-9)17-10(13)14/h1-6H,(H2,12,15)(H4,13,14,16,17)
InChIKeyZUUPCKUOYLOUTH-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.33
Rot. Bonds3

About N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide

N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide (PubChem CID 88671972) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide.

Molecular Properties

Compound NameN'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide
PubChem CID88671972
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC NameN'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide
SMILESN/C=N/c1cccc(-c2csc(N=C(N)N)n2)c1
InChIInChI=1S/C11H12N6S/c12-6-15-8-3-1-2-7(4-8)9-5-18-11(16-9)17-10(13)14/h1-6H,(H2,12,15)(H4,13,14,16,17)
InChIKeyZUUPCKUOYLOUTH-UHFFFAOYSA-N
XLogP1.33
TPSA115.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 18322948
2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride
CID 24854754
2-[4-[3-(cyanoamino)phenyl]-1,3-thiazol-2-yl]guanidine
CID 20552227
[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methylurea
CID 19439678
2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride
CID 18953872
2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]guanidine
CID 87544723
2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine
CID 10264073
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 24854747
2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 142693097
methyl N-[[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]carbamate
CID 19439677
2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
CID 24938739
2-[4-(furan-2-yl)-1,3-thiazol-2-yl]guanidine
CID 13387169

Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide?
The IUPAC name of N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide (CID 88671972) is N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide.
What is the SMILES notation for N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide?
The canonical SMILES for N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide is N/C=N/c1cccc(-c2csc(N=C(N)N)n2)c1.
What is the InChIKey of N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide?
The InChIKey is ZUUPCKUOYLOUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S/c12-6-15-8-3-1-2-7(4-8)9-5-18-11(16-9)17-10(13)14/h1-6H,(H2,12,15)(H4,13,14,16,17).
What are the key properties of N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide?
N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide has a molecular weight of 260.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide is sourced from PubChem (CID 88671972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).