1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine

C8H14N4S — CID 62363334

IUPAC1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine
SMILESCC(C)N/C(N)=N/Cc1nccs1
InChIInChI=1S/C8H14N4S/c1-6(2)12-8(9)11-5-7-10-3-4-13-7/h3-4,6H,5H2,1-2H3,(H3,9,11,12)
InChIKeyUKFQIMXDUPZFAN-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.96
Rot. Bonds3

About 1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine

1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine (PubChem CID 62363334) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine
PubChem CID62363334
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine
SMILESCC(C)N/C(N)=N/Cc1nccs1
InChIInChI=1S/C8H14N4S/c1-6(2)12-8(9)11-5-7-10-3-4-13-7/h3-4,6H,5H2,1-2H3,(H3,9,11,12)
InChIKeyUKFQIMXDUPZFAN-UHFFFAOYSA-N
XLogP0.96
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine?
The IUPAC name of 1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine (CID 62363334) is 1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine.
What is the SMILES notation for 1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine?
The canonical SMILES for 1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine is CC(C)N/C(N)=N/Cc1nccs1.
What is the InChIKey of 1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine?
The InChIKey is UKFQIMXDUPZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6(2)12-8(9)11-5-7-10-3-4-13-7/h3-4,6H,5H2,1-2H3,(H3,9,11,12).
What are the key properties of 1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine?
1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine has a molecular weight of 198.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine is sourced from PubChem (CID 62363334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).