5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C15H20ClN3S — CID 120904382

IUPAC5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cnc(N)s1)CC1(c2ccccc2)CC1.Cl
InChIInChI=1S/C15H19N3S.ClH/c1-18(10-13-9-17-14(16)19-13)11-15(7-8-15)12-5-3-2-4-6-12;/h2-6,9H,7-8,10-11H2,1H3,(H2,16,17);1H
InChIKeyGXMHBKZPJBGOJG-UHFFFAOYSA-N
MW309.87 g/mol
LogP3.31
Rot. Bonds5

About 5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120904382) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120904382
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cnc(N)s1)CC1(c2ccccc2)CC1.Cl
InChIInChI=1S/C15H19N3S.ClH/c1-18(10-13-9-17-14(16)19-13)11-15(7-8-15)12-5-3-2-4-6-12;/h2-6,9H,7-8,10-11H2,1H3,(H2,16,17);1H
InChIKeyGXMHBKZPJBGOJG-UHFFFAOYSA-N
XLogP3.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120904382) is 5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(Cc1cnc(N)s1)CC1(c2ccccc2)CC1.Cl.
What is the InChIKey of 5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is GXMHBKZPJBGOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S.ClH/c1-18(10-13-9-17-14(16)19-13)11-15(7-8-15)12-5-3-2-4-6-12;/h2-6,9H,7-8,10-11H2,1H3,(H2,16,17);1H.
What are the key properties of 5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 309.87 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120904382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).