2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane

C16H34N4S — CID 157030413

IUPAC2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane
SMILESCC.CC.CC1(C)CCCC(c2nc(N)c(NN)s2)CC1
InChIInChI=1S/C12H22N4S.2C2H6/c1-12(2)6-3-4-8(5-7-12)10-15-9(13)11(16-14)17-10;2*1-2/h8,16H,3-7,13-14H2,1-2H3;2*1-2H3
InChIKeyIGNZMGQRYCHDNY-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.14
Rot. Bonds2

About 2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane

2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane (PubChem CID 157030413) has the molecular formula C16H34N4S and a molecular weight of 314.54 g/mol. Its IUPAC name is 2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane.

Molecular Properties

Compound Name2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane
PubChem CID157030413
Molecular FormulaC16H34N4S
Molecular Weight314.54 g/mol
Exact Mass314.25
IUPAC Name2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane
SMILESCC.CC.CC1(C)CCCC(c2nc(N)c(NN)s2)CC1
InChIInChI=1S/C12H22N4S.2C2H6/c1-12(2)6-3-4-8(5-7-12)10-15-9(13)11(16-14)17-10;2*1-2/h8,16H,3-7,13-14H2,1-2H3;2*1-2H3
InChIKeyIGNZMGQRYCHDNY-UHFFFAOYSA-N
XLogP5.14
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane?
The IUPAC name of 2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane (CID 157030413) is 2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane.
What is the SMILES notation for 2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane?
The canonical SMILES for 2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane is CC.CC.CC1(C)CCCC(c2nc(N)c(NN)s2)CC1.
What is the InChIKey of 2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane?
The InChIKey is IGNZMGQRYCHDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S.2C2H6/c1-12(2)6-3-4-8(5-7-12)10-15-9(13)11(16-14)17-10;2*1-2/h8,16H,3-7,13-14H2,1-2H3;2*1-2H3.
What are the key properties of 2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane?
2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane has a molecular weight of 314.54 g/mol, XLogP of 5.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcycloheptyl)-5-hydrazinyl-1,3-thiazol-4-amine;ethane is sourced from PubChem (CID 157030413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).