N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H27N3OS — CID 63916963

IUPACN-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCC1CN(c2nc(C3CC3)c(CNC(C)C)s2)CCO1
InChIInChI=1S/C16H27N3OS/c1-4-13-10-19(7-8-20-13)16-18-15(12-5-6-12)14(21-16)9-17-11(2)3/h11-13,17H,4-10H2,1-3H3
InChIKeyCZAMCZKPNIXIAS-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.13
Rot. Bonds6

About N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 63916963) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID63916963
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCC1CN(c2nc(C3CC3)c(CNC(C)C)s2)CCO1
InChIInChI=1S/C16H27N3OS/c1-4-13-10-19(7-8-20-13)16-18-15(12-5-6-12)14(21-16)9-17-11(2)3/h11-13,17H,4-10H2,1-3H3
InChIKeyCZAMCZKPNIXIAS-UHFFFAOYSA-N
XLogP3.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 63916963) is N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCC1CN(c2nc(C3CC3)c(CNC(C)C)s2)CCO1.
What is the InChIKey of N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is CZAMCZKPNIXIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-13-10-19(7-8-20-13)16-18-15(12-5-6-12)14(21-16)9-17-11(2)3/h11-13,17H,4-10H2,1-3H3.
What are the key properties of N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 309.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63916963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).