[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine

C17H25N3S — CID 142703215

IUPAC[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine
SMILESNCc1cs/c(=N\C23CC4CC(CC(C4)C2)C3)n1C1CC1
InChIInChI=1S/C17H25N3S/c18-9-15-10-21-16(20(15)14-1-2-14)19-17-6-11-3-12(7-17)5-13(4-11)8-17/h10-14H,1-9,18H2/b19-16-
InChIKeyGPWMHGVDHCCICM-MNDPQUGUSA-N
MW303.47 g/mol
LogP3.21
Rot. Bonds3

About [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine

[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine (PubChem CID 142703215) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine
PubChem CID142703215
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine
SMILESNCc1cs/c(=N\C23CC4CC(CC(C4)C2)C3)n1C1CC1
InChIInChI=1S/C17H25N3S/c18-9-15-10-21-16(20(15)14-1-2-14)19-17-6-11-3-12(7-17)5-13(4-11)8-17/h10-14H,1-9,18H2/b19-16-
InChIKeyGPWMHGVDHCCICM-MNDPQUGUSA-N
XLogP3.21
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(1-adamantyl)-N-cyclohexylcarbamimidothioate
CID 176518243
N-[2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine
CID 142703213
[2-(1-Adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide
CID 142703214
N-[2-(2-cycloheptylimino-3-cyclopropyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine
CID 142703216
N-[2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]ethyl]cycloheptanamine
CID 142703224

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine (CID 142703215) is [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine is NCc1cs/c(=N\C23CC4CC(CC(C4)C2)C3)n1C1CC1.
What is the InChIKey of [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine?
The InChIKey is GPWMHGVDHCCICM-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H25N3S/c18-9-15-10-21-16(20(15)14-1-2-14)19-17-6-11-3-12(7-17)5-13(4-11)8-17/h10-14H,1-9,18H2/b19-16-.
What are the key properties of [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine?
[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine has a molecular weight of 303.47 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 142703215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).