5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine

C11H21N3OS — CID 120900910

IUPAC5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCOC(C)CN(Cc1cnc(N)s1)C(C)C
InChIInChI=1S/C11H21N3OS/c1-8(2)14(6-9(3)15-4)7-10-5-13-11(12)16-10/h5,8-9H,6-7H2,1-4H3,(H2,12,13)
InChIKeySQNNPECXZPEZPR-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.97
Rot. Bonds6

About 5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine

5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120900910) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID120900910
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCOC(C)CN(Cc1cnc(N)s1)C(C)C
InChIInChI=1S/C11H21N3OS/c1-8(2)14(6-9(3)15-4)7-10-5-13-11(12)16-10/h5,8-9H,6-7H2,1-4H3,(H2,12,13)
InChIKeySQNNPECXZPEZPR-UHFFFAOYSA-N
XLogP1.97
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine (CID 120900910) is 5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine is COC(C)CN(Cc1cnc(N)s1)C(C)C.
What is the InChIKey of 5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is SQNNPECXZPEZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-8(2)14(6-9(3)15-4)7-10-5-13-11(12)16-10/h5,8-9H,6-7H2,1-4H3,(H2,12,13).
What are the key properties of 5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 243.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120900910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).