5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine

C13H23N3OS — CID 55117419

IUPAC5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCOCC(C)N(C)c1nc(C)c(CNC2CC2)s1
InChIInChI=1S/C13H23N3OS/c1-9(8-17-4)16(3)13-15-10(2)12(18-13)7-14-11-5-6-11/h9,11,14H,5-8H2,1-4H3
InChIKeyHAROLOUPXNCPPB-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.17
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 55117419) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID55117419
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCOCC(C)N(C)c1nc(C)c(CNC2CC2)s1
InChIInChI=1S/C13H23N3OS/c1-9(8-17-4)16(3)13-15-10(2)12(18-13)7-14-11-5-6-11/h9,11,14H,5-8H2,1-4H3
InChIKeyHAROLOUPXNCPPB-UHFFFAOYSA-N
XLogP2.17
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine (CID 55117419) is 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine is COCC(C)N(C)c1nc(C)c(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is HAROLOUPXNCPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(8-17-4)16(3)13-15-10(2)12(18-13)7-14-11-5-6-11/h9,11,14H,5-8H2,1-4H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55117419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).