1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine

C7H12N6S — CID 83036330

IUPAC1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESCc1nc(C/N=C(\N)N=C(N)N)cs1
InChIInChI=1S/C7H12N6S/c1-4-12-5(3-14-4)2-11-7(10)13-6(8)9/h3H,2H2,1H3,(H6,8,9,10,11,13)
InChIKeyDCQCUFAGRLISBK-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.46
Rot. Bonds2

About 1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine

1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine (PubChem CID 83036330) has the molecular formula C7H12N6S and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
PubChem CID83036330
Molecular FormulaC7H12N6S
Molecular Weight212.28 g/mol
Exact Mass212.08
IUPAC Name1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESCc1nc(C/N=C(\N)N=C(N)N)cs1
InChIInChI=1S/C7H12N6S/c1-4-12-5(3-14-4)2-11-7(10)13-6(8)9/h3H,2H2,1H3,(H6,8,9,10,11,13)
InChIKeyDCQCUFAGRLISBK-UHFFFAOYSA-N
XLogP-0.46
TPSA115.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide
CID 63177005
1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine
CID 83034076
N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 57374618
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide
CID 106043202
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide
CID 106043191
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111117688
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine
CID 79190091
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole
CID 143071473

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine (CID 83036330) is 1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine is Cc1nc(C/N=C(\N)N=C(N)N)cs1.
What is the InChIKey of 1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The InChIKey is DCQCUFAGRLISBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6S/c1-4-12-5(3-14-4)2-11-7(10)13-6(8)9/h3H,2H2,1H3,(H6,8,9,10,11,13).
What are the key properties of 1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine has a molecular weight of 212.28 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine is sourced from PubChem (CID 83036330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).