2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C11H21IN4S — CID 111822141

IUPAC2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCCc1cnc(CN=C(N(C)C)N(C)C)s1.I
InChIInChI=1S/C11H20N4S.HI/c1-6-9-7-12-10(16-9)8-13-11(14(2)3)15(4)5;/h7H,6,8H2,1-5H3;1H
InChIKeyQKFJBWBBVFGPPO-UHFFFAOYSA-N
MW368.29 g/mol
LogP2.30
Rot. Bonds3

About 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111822141) has the molecular formula C11H21IN4S and a molecular weight of 368.29 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111822141
Molecular FormulaC11H21IN4S
Molecular Weight368.29 g/mol
Exact Mass368.05
IUPAC Name2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCCc1cnc(CN=C(N(C)C)N(C)C)s1.I
InChIInChI=1S/C11H20N4S.HI/c1-6-9-7-12-10(16-9)8-13-11(14(2)3)15(4)5;/h7H,6,8H2,1-5H3;1H
InChIKeyQKFJBWBBVFGPPO-UHFFFAOYSA-N
XLogP2.30
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 111511692
N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide
CID 111822147
N,N-diethyl-2-[[N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111510062
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111535111
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
CID 103696932
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-hexylguanidine;hydroiodide
CID 111511211
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111493048
1-cyclopropyl-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495600
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111985408
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-octylguanidine
CID 111822130
1-cyclopentyl-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495840
1-[3-(diethylamino)propyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111534762

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111822141) is 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CCc1cnc(CN=C(N(C)C)N(C)C)s1.I.
What is the InChIKey of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is QKFJBWBBVFGPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S.HI/c1-6-9-7-12-10(16-9)8-13-11(14(2)3)15(4)5;/h7H,6,8H2,1-5H3;1H.
What are the key properties of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 368.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111822141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).