2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine

C8H13N5S — CID 154005365

IUPAC2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine
SMILESNC(N)=Nc1nc(C2CCCN2)cs1
InChIInChI=1S/C8H13N5S/c9-7(10)13-8-12-6(4-14-8)5-2-1-3-11-5/h4-5,11H,1-3H2,(H4,9,10,12,13)
InChIKeyOQZXERYYGRSIBC-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.47
Rot. Bonds2

About 2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine

2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine (PubChem CID 154005365) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine
PubChem CID154005365
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine
SMILESNC(N)=Nc1nc(C2CCCN2)cs1
InChIInChI=1S/C8H13N5S/c9-7(10)13-8-12-6(4-14-8)5-2-1-3-11-5/h4-5,11H,1-3H2,(H4,9,10,12,13)
InChIKeyOQZXERYYGRSIBC-UHFFFAOYSA-N
XLogP0.47
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.47
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

[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704147
N-methyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704146
N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 72942833
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276
2-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]guanidine
CID 136536293
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104853425
2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853409

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine?
The IUPAC name of 2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine (CID 154005365) is 2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine is NC(N)=Nc1nc(C2CCCN2)cs1.
What is the InChIKey of 2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine?
The InChIKey is OQZXERYYGRSIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c9-7(10)13-8-12-6(4-14-8)5-2-1-3-11-5/h4-5,11H,1-3H2,(H4,9,10,12,13).
What are the key properties of 2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine?
2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine has a molecular weight of 211.29 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 154005365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).