5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride

C14H16ClN3S — CID 120902174

IUPAC5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CC3(CC3)c3ccccc32)s1
InChIInChI=1S/C14H15N3S.ClH/c15-13-16-7-10(18-13)8-17-9-14(5-6-14)11-3-1-2-4-12(11)17;/h1-4,7H,5-6,8-9H2,(H2,15,16);1H
InChIKeyQDGHJDRGXXOFRA-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.20
Rot. Bonds2

About 5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride

5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120902174) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID120902174
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CC3(CC3)c3ccccc32)s1
InChIInChI=1S/C14H15N3S.ClH/c15-13-16-7-10(18-13)8-17-9-14(5-6-14)11-3-1-2-4-12(11)17;/h1-4,7H,5-6,8-9H2,(H2,15,16);1H
InChIKeyQDGHJDRGXXOFRA-UHFFFAOYSA-N
XLogP3.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride (CID 120902174) is 5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CC3(CC3)c3ccccc32)s1.
What is the InChIKey of 5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is QDGHJDRGXXOFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S.ClH/c15-13-16-7-10(18-13)8-17-9-14(5-6-14)11-3-1-2-4-12(11)17;/h1-4,7H,5-6,8-9H2,(H2,15,16);1H.
What are the key properties of 5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 293.82 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120902174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).