1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine

C11H19N3S — CID 82437555

IUPAC1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1sc(CN(C)C)nc1C1CC1
InChIInChI=1S/C11H19N3S/c1-7(12)11-10(8-4-5-8)13-9(15-11)6-14(2)3/h7-8H,4-6,12H2,1-3H3
InChIKeyMVNAVWPDZBBOGY-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.10
Rot. Bonds4

About 1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine

1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 82437555) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID82437555
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1sc(CN(C)C)nc1C1CC1
InChIInChI=1S/C11H19N3S/c1-7(12)11-10(8-4-5-8)13-9(15-11)6-14(2)3/h7-8H,4-6,12H2,1-3H3
InChIKeyMVNAVWPDZBBOGY-UHFFFAOYSA-N
XLogP2.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine (CID 82437555) is 1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine is CC(N)c1sc(CN(C)C)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is MVNAVWPDZBBOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-7(12)11-10(8-4-5-8)13-9(15-11)6-14(2)3/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine?
1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82437555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).