N,N'-bis(1,3-thiazol-2-yl)methanimidamide

C7H6N4S2 — CID 6147307

IUPACN,N'-bis(1,3-thiazol-2-yl)methanimidamide
SMILESC(=N\c1nccs1)\Nc1nccs1
InChIInChI=1S/C7H6N4S2/c1-3-12-6(8-1)10-5-11-7-9-2-4-13-7/h1-5H,(H,8,9,10,11)
InChIKeyXVIAWTPJNLNQLJ-UHFFFAOYSA-N
MW210.29 g/mol
LogP2.37
Rot. Bonds3

About N,N'-bis(1,3-thiazol-2-yl)methanimidamide

N,N'-bis(1,3-thiazol-2-yl)methanimidamide (PubChem CID 6147307) has the molecular formula C7H6N4S2 and a molecular weight of 210.29 g/mol. Its IUPAC name is N,N'-bis(1,3-thiazol-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(1,3-thiazol-2-yl)methanimidamide
PubChem CID6147307
Molecular FormulaC7H6N4S2
Molecular Weight210.29 g/mol
Exact Mass210.00
IUPAC NameN,N'-bis(1,3-thiazol-2-yl)methanimidamide
SMILESC(=N\c1nccs1)\Nc1nccs1
InChIInChI=1S/C7H6N4S2/c1-3-12-6(8-1)10-5-11-7-9-2-4-13-7/h1-5H,(H,8,9,10,11)
InChIKeyXVIAWTPJNLNQLJ-UHFFFAOYSA-N
XLogP2.37
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-Aminothiazole
CID 2155
N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202
N-Methyl-N'-1,3-thiazol-2-ylurea
CID 326069
2-((1,3-Thiazol-2-ylamino)methylene)malononitrile
CID 2800869
N-methyl-1,3-thiazol-2-amine
CID 11959081
Guanidine, N-(1,1-dimethylethyl)-N',N''-bis(2-thiazolyl)-
CID 3055125
Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328
1,3-Bis(1,3-thiazol-2-YL)urea
CID 12995505
5-(1,3-Thiazol-2-ylsulfinyl)-1,3-thiazol-2-amine
CID 44461685
Formamide, N-2-thiazolyl-
CID 3736156
N-propyl-1,3-thiazol-2-amine
CID 12707503
N-Ethyl-1,3-thiazol-2-amine
CID 13699275

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1,3-thiazol-2-yl)methanimidamide?
The IUPAC name of N,N'-bis(1,3-thiazol-2-yl)methanimidamide (CID 6147307) is N,N'-bis(1,3-thiazol-2-yl)methanimidamide.
What is the SMILES notation for N,N'-bis(1,3-thiazol-2-yl)methanimidamide?
The canonical SMILES for N,N'-bis(1,3-thiazol-2-yl)methanimidamide is C(=N\c1nccs1)\Nc1nccs1.
What is the InChIKey of N,N'-bis(1,3-thiazol-2-yl)methanimidamide?
The InChIKey is XVIAWTPJNLNQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S2/c1-3-12-6(8-1)10-5-11-7-9-2-4-13-7/h1-5H,(H,8,9,10,11).
What are the key properties of N,N'-bis(1,3-thiazol-2-yl)methanimidamide?
N,N'-bis(1,3-thiazol-2-yl)methanimidamide has a molecular weight of 210.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,3-thiazol-2-yl)methanimidamide is sourced from PubChem (CID 6147307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).