1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine

C12H22N4S — CID 111097891

IUPAC1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
SMILESCc1csc(CCCN=C(N(C)C)N(C)C)n1
InChIInChI=1S/C12H22N4S/c1-10-9-17-11(14-10)7-6-8-13-12(15(2)3)16(4)5/h9H,6-8H2,1-5H3
InChIKeyPOFOHFRBYNZSTQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.86
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine

1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine (PubChem CID 111097891) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
PubChem CID111097891
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
SMILESCc1csc(CCCN=C(N(C)C)N(C)C)n1
InChIInChI=1S/C12H22N4S/c1-10-9-17-11(14-10)7-6-8-13-12(15(2)3)16(4)5/h9H,6-8H2,1-5H3
InChIKeyPOFOHFRBYNZSTQ-UHFFFAOYSA-N
XLogP1.86
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,3,3-tetramethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111098812
2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine
CID 110935335
1,3-diethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 110935338
N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]azepane-1-carboximidamide
CID 75495266
1-ethyl-3-(3-methylbutan-2-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111002195
1-ethyl-3-hexyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111161457
2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-octylguanidine
CID 111097861
1-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 136925897
1-(3-methylbutyl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111097844
2-[3-(1,3-benzothiazol-2-yl)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111037815
1-ethyl-3-(4-methylpentyl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111943351
N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111098854

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine (CID 111097891) is 1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine is Cc1csc(CCCN=C(N(C)C)N(C)C)n1.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
The InChIKey is POFOHFRBYNZSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-10-9-17-11(14-10)7-6-8-13-12(15(2)3)16(4)5/h9H,6-8H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine has a molecular weight of 254.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine is sourced from PubChem (CID 111097891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).