1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine

C14H25N5S2 — CID 119146414

IUPAC1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESC/N=C(\NCc1nc(C)cs1)NCC1(N(C)C)CCSC1
InChIInChI=1S/C14H25N5S2/c1-11-8-21-12(18-11)7-16-13(15-2)17-9-14(19(3)4)5-6-20-10-14/h8H,5-7,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyUAHNOLIITMHQHA-UHFFFAOYSA-N
MW327.52 g/mol
LogP1.55
Rot. Bonds5

About 1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine

1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine (PubChem CID 119146414) has the molecular formula C14H25N5S2 and a molecular weight of 327.52 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
PubChem CID119146414
Molecular FormulaC14H25N5S2
Molecular Weight327.52 g/mol
Exact Mass327.16
IUPAC Name1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESC/N=C(\NCc1nc(C)cs1)NCC1(N(C)C)CCSC1
InChIInChI=1S/C14H25N5S2/c1-11-8-21-12(18-11)7-16-13(15-2)17-9-14(19(3)4)5-6-20-10-14/h8H,5-7,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyUAHNOLIITMHQHA-UHFFFAOYSA-N
XLogP1.55
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 51.55
H-Bond Donors ≤ 52
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

1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 119146428
1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119114480
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119146190
1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 119156903
1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine
CID 119157801
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119116973
1-cyclohexyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119115680
2-[[N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]-N-phenylacetamide
CID 119116936
4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol
CID 111436780
1-(3,4-dihydro-2H-chromen-4-yl)-3-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methylguanidine
CID 119156870
1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 119146433
1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine;hydroiodide
CID 119157662

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The IUPAC name of 1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine (CID 119146414) is 1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine is C/N=C(\NCc1nc(C)cs1)NCC1(N(C)C)CCSC1.
What is the InChIKey of 1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The InChIKey is UAHNOLIITMHQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S2/c1-11-8-21-12(18-11)7-16-13(15-2)17-9-14(19(3)4)5-6-20-10-14/h8H,5-7,9-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine has a molecular weight of 327.52 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine is sourced from PubChem (CID 119146414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).