4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine

C13H23N3OS — CID 81063717

IUPAC4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
SMILESCC(C)OCCN(C)c1nc(CNC2CC2)cs1
InChIInChI=1S/C13H23N3OS/c1-10(2)17-7-6-16(3)13-15-12(9-18-13)8-14-11-4-5-11/h9-11,14H,4-8H2,1-3H3
InChIKeyNGOBZUIFXMPFHC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.26
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine

4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine (PubChem CID 81063717) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
PubChem CID81063717
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
SMILESCC(C)OCCN(C)c1nc(CNC2CC2)cs1
InChIInChI=1S/C13H23N3OS/c1-10(2)17-7-6-16(3)13-15-12(9-18-13)8-14-11-4-5-11/h9-11,14H,4-8H2,1-3H3
InChIKeyNGOBZUIFXMPFHC-UHFFFAOYSA-N
XLogP2.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81062599
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067668
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 81064697
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494680
1-[2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 81068705
N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 115671381
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727926
4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine
CID 81056843
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392868
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81057223
2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81056751
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727927

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine (CID 81063717) is 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine is CC(C)OCCN(C)c1nc(CNC2CC2)cs1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine?
The InChIKey is NGOBZUIFXMPFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10(2)17-7-6-16(3)13-15-12(9-18-13)8-14-11-4-5-11/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine?
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 81063717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).