2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine

C7H8N6S — CID 13101010

IUPAC2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2cnc[nH]2)cs1
InChIInChI=1S/C7H8N6S/c8-6(9)13-7-12-5(2-14-7)4-1-10-3-11-4/h1-3H,(H,10,11)(H4,8,9,12,13)
InChIKeyRROBYWWPVULLSU-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.44
Rot. Bonds2

About 2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine

2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine (PubChem CID 13101010) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine
PubChem CID13101010
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC Name2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2cnc[nH]2)cs1
InChIInChI=1S/C7H8N6S/c8-6(9)13-7-12-5(2-14-7)4-1-10-3-11-4/h1-3H,(H,10,11)(H4,8,9,12,13)
InChIKeyRROBYWWPVULLSU-UHFFFAOYSA-N
XLogP0.44
TPSA105.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.44
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

Zaltidine
CID 56051
CP-66,948
CID 127772
[2-(1H-Imidazol-4-yl)-ethyl]-thiazol-2-yl-amine
CID 10081340
2-Guanidino-4-(2-amino-4-imidazolyl)thiazole
CID 13100994
2-(1H-imidazol-5-ylmethyl)-4,5-dimethyl-1,3-thiazole
CID 9990190
4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 10821611
4-ethyl-2-(1H-imidazol-4-yl)-1,3-thiazole
CID 136333896
4-(1-Methylimidazol-4-yl)-1,3-thiazole
CID 117935576
Zaltidine Hydrochloride
CID 13676604
2-(1H-imidazol-4-yl)-1,3-thiazole
CID 53773131
1-(4-ethyl-1,3-thiazol-2-yl)-N-(1H-imidazol-4-ylmethyl)methanamine
CID 132422951
Guanidine, N-(4-(2-methyl-1H-imidazol-4-yl)-2-thiazolyl)-N'-pentyl-, dihydrochloride
CID 13650170

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine (CID 13101010) is 2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine is NC(N)=Nc1nc(-c2cnc[nH]2)cs1.
What is the InChIKey of 2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is RROBYWWPVULLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c8-6(9)13-7-12-5(2-14-7)4-1-10-3-11-4/h1-3H,(H,10,11)(H4,8,9,12,13).
What are the key properties of 2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine?
2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 208.25 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 13101010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).