2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine

C10H11N5OS — CID 10264073

IUPAC2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2ccnc(CO)c2)cs1
InChIInChI=1S/C10H11N5OS/c11-9(12)15-10-14-8(5-17-10)6-1-2-13-7(3-6)4-16/h1-3,5,16H,4H2,(H4,11,12,14,15)
InChIKeyVJODNSVLFYBLSS-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.60
Rot. Bonds3

About 2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine

2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine (PubChem CID 10264073) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine
PubChem CID10264073
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2ccnc(CO)c2)cs1
InChIInChI=1S/C10H11N5OS/c11-9(12)15-10-14-8(5-17-10)6-1-2-13-7(3-6)4-16/h1-3,5,16H,4H2,(H4,11,12,14,15)
InChIKeyVJODNSVLFYBLSS-UHFFFAOYSA-N
XLogP0.60
TPSA110.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.60
H-Bond Donors ≤ 53
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-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride
CID 24854754
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 18322948
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
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854875
2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
CID 24938739
N'-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methanimidamide
CID 88671972
2-[4-(furan-2-yl)-1,3-thiazol-2-yl]guanidine
CID 13387169
2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine;dihydrobromide
CID 23321326
[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methylurea
CID 19439678
2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]guanidine
CID 87544723
2-[4-[3-(cyanoamino)phenyl]-1,3-thiazol-2-yl]guanidine
CID 20552227

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine (CID 10264073) is 2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine is NC(N)=Nc1nc(-c2ccnc(CO)c2)cs1.
What is the InChIKey of 2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine?
The InChIKey is VJODNSVLFYBLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c11-9(12)15-10-14-8(5-17-10)6-1-2-13-7(3-6)4-16/h1-3,5,16H,4H2,(H4,11,12,14,15).
What are the key properties of 2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine?
2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine has a molecular weight of 249.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 10264073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).