4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine

C16H22N4OS — CID 110113875

IUPAC4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
SMILESCc1nc(CN2CCOC(CCc3ccnc(N)c3)C2)cs1
InChIInChI=1S/C16H22N4OS/c1-12-19-14(11-22-12)9-20-6-7-21-15(10-20)3-2-13-4-5-18-16(17)8-13/h4-5,8,11,15H,2-3,6-7,9-10H2,1H3,(H2,17,18)
InChIKeyVGOOKAXCLZFLIF-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.26
Rot. Bonds5

About 4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine

4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine (PubChem CID 110113875) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
PubChem CID110113875
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
SMILESCc1nc(CN2CCOC(CCc3ccnc(N)c3)C2)cs1
InChIInChI=1S/C16H22N4OS/c1-12-19-14(11-22-12)9-20-6-7-21-15(10-20)3-2-13-4-5-18-16(17)8-13/h4-5,8,11,15H,2-3,6-7,9-10H2,1H3,(H2,17,18)
InChIKeyVGOOKAXCLZFLIF-UHFFFAOYSA-N
XLogP2.26
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine (CID 110113875) is 4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine is Cc1nc(CN2CCOC(CCc3ccnc(N)c3)C2)cs1.
What is the InChIKey of 4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine?
The InChIKey is VGOOKAXCLZFLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12-19-14(11-22-12)9-20-6-7-21-15(10-20)3-2-13-4-5-18-16(17)8-13/h4-5,8,11,15H,2-3,6-7,9-10H2,1H3,(H2,17,18).
What are the key properties of 4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine?
4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine has a molecular weight of 318.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 110113875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).