4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride

C13H19ClN2S — CID 2828153

IUPAC4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C13H18N2S.ClH/c14-12-15-11(7-16-12)13-4-8-1-9(5-13)3-10(2-8)6-13;/h7-10H,1-6H2,(H2,14,15);1H
InChIKeyVPQRNQJFCJUSDM-UHFFFAOYSA-N
MW270.83 g/mol
LogP3.61
Rot. Bonds1

About 4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride

4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 2828153) has the molecular formula C13H19ClN2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID2828153
Molecular FormulaC13H19ClN2S
Molecular Weight270.83 g/mol
Exact Mass270.10
IUPAC Name4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C13H18N2S.ClH/c14-12-15-11(7-16-12)13-4-8-1-9(5-13)3-10(2-8)6-13;/h7-10H,1-6H2,(H2,14,15);1H
InChIKeyVPQRNQJFCJUSDM-UHFFFAOYSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride (CID 2828153) is 4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of 4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is VPQRNQJFCJUSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S.ClH/c14-12-15-11(7-16-12)13-4-8-1-9(5-13)3-10(2-8)6-13;/h7-10H,1-6H2,(H2,14,15);1H.
What are the key properties of 4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride?
4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 270.83 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 2828153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).