[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone

C14H24N4O2S — CID 116670464

IUPAC[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCCCN(C)c1nc(N)c(C(=O)N2CCOC(C)(C)C2)s1
InChIInChI=1S/C14H24N4O2S/c1-5-6-17(4)13-16-11(15)10(21-13)12(19)18-7-8-20-14(2,3)9-18/h5-9,15H2,1-4H3
InChIKeyQGSOCOXDXSGRPG-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.82
Rot. Bonds4

About [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone

[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 116670464) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID116670464
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCCCN(C)c1nc(N)c(C(=O)N2CCOC(C)(C)C2)s1
InChIInChI=1S/C14H24N4O2S/c1-5-6-17(4)13-16-11(15)10(21-13)12(19)18-7-8-20-14(2,3)9-18/h5-9,15H2,1-4H3
InChIKeyQGSOCOXDXSGRPG-UHFFFAOYSA-N
XLogP1.82
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone (CID 116670464) is [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone is CCCN(C)c1nc(N)c(C(=O)N2CCOC(C)(C)C2)s1.
What is the InChIKey of [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is QGSOCOXDXSGRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-5-6-17(4)13-16-11(15)10(21-13)12(19)18-7-8-20-14(2,3)9-18/h5-9,15H2,1-4H3.
What are the key properties of [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 312.44 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 116670464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).