1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine

C16H22N4S2 — CID 119117780

IUPAC1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine
SMILESCc1nc(-c2ccc(CC/N=C(\N)NC3CCCC3)s2)cs1
InChIInChI=1S/C16H22N4S2/c1-11-19-14(10-21-11)15-7-6-13(22-15)8-9-18-16(17)20-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H3,17,18,20)
InChIKeyHGUIYWBDQMGUCV-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.57
Rot. Bonds5

About 1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine

1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine (PubChem CID 119117780) has the molecular formula C16H22N4S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine
PubChem CID119117780
Molecular FormulaC16H22N4S2
Molecular Weight334.51 g/mol
Exact Mass334.13
IUPAC Name1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine
SMILESCc1nc(-c2ccc(CC/N=C(\N)NC3CCCC3)s2)cs1
InChIInChI=1S/C16H22N4S2/c1-11-19-14(10-21-11)15-7-6-13(22-15)8-9-18-16(17)20-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H3,17,18,20)
InChIKeyHGUIYWBDQMGUCV-UHFFFAOYSA-N
XLogP3.57
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine (CID 119117780) is 1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine is Cc1nc(-c2ccc(CC/N=C(\N)NC3CCCC3)s2)cs1.
What is the InChIKey of 1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine?
The InChIKey is HGUIYWBDQMGUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S2/c1-11-19-14(10-21-11)15-7-6-13(22-15)8-9-18-16(17)20-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H3,17,18,20).
What are the key properties of 1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine?
1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine has a molecular weight of 334.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine is sourced from PubChem (CID 119117780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).