N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine

C15H27N3S2 — CID 134908187

IUPACN-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine
SMILESCCN(CC)CCc1cnc(SNC2CCCCC2)s1
InChIInChI=1S/C15H27N3S2/c1-3-18(4-2)11-10-14-12-16-15(19-14)20-17-13-8-6-5-7-9-13/h12-13,17H,3-11H2,1-2H3
InChIKeyYLNOEMACLBEQHS-UHFFFAOYSA-N
MW313.54 g/mol
LogP3.96
Rot. Bonds8

About N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine

N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine (PubChem CID 134908187) has the molecular formula C15H27N3S2 and a molecular weight of 313.54 g/mol. Its IUPAC name is N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine
PubChem CID134908187
Molecular FormulaC15H27N3S2
Molecular Weight313.54 g/mol
Exact Mass313.16
IUPAC NameN-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine
SMILESCCN(CC)CCc1cnc(SNC2CCCCC2)s1
InChIInChI=1S/C15H27N3S2/c1-3-18(4-2)11-10-14-12-16-15(19-14)20-17-13-8-6-5-7-9-13/h12-13,17H,3-11H2,1-2H3
InChIKeyYLNOEMACLBEQHS-UHFFFAOYSA-N
XLogP3.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine?
The IUPAC name of N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine (CID 134908187) is N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine.
What is the SMILES notation for N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine?
The canonical SMILES for N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine is CCN(CC)CCc1cnc(SNC2CCCCC2)s1.
What is the InChIKey of N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine?
The InChIKey is YLNOEMACLBEQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S2/c1-3-18(4-2)11-10-14-12-16-15(19-14)20-17-13-8-6-5-7-9-13/h12-13,17H,3-11H2,1-2H3.
What are the key properties of N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine?
N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine has a molecular weight of 313.54 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(diethylamino)ethyl]-1,3-thiazol-2-yl]sulfanyl]cyclohexanamine is sourced from PubChem (CID 134908187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).