N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine

C16H29N3O3S — CID 126824584

IUPACN-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine
SMILESCOc1nc(OC)c(CN(C)CC(C)(C)CN2CCOCC2)s1
InChIInChI=1S/C16H29N3O3S/c1-16(2,12-19-6-8-22-9-7-19)11-18(3)10-13-14(20-4)17-15(21-5)23-13/h6-12H2,1-5H3
InChIKeyARRCCVNZHDDUHO-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.95
Rot. Bonds8

About N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine

N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 126824584) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine
PubChem CID126824584
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine
SMILESCOc1nc(OC)c(CN(C)CC(C)(C)CN2CCOCC2)s1
InChIInChI=1S/C16H29N3O3S/c1-16(2,12-19-6-8-22-9-7-19)11-18(3)10-13-14(20-4)17-15(21-5)23-13/h6-12H2,1-5H3
InChIKeyARRCCVNZHDDUHO-UHFFFAOYSA-N
XLogP1.95
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine (CID 126824584) is N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine is COc1nc(OC)c(CN(C)CC(C)(C)CN2CCOCC2)s1.
What is the InChIKey of N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is ARRCCVNZHDDUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-16(2,12-19-6-8-22-9-7-19)11-18(3)10-13-14(20-4)17-15(21-5)23-13/h6-12H2,1-5H3.
What are the key properties of N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine?
N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 343.49 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 126824584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).