3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine

C14H23N3OS — CID 79323854

IUPAC3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine
SMILESCc1nc(N2CCOCC2)sc1C=C(CN)C(C)C
InChIInChI=1S/C14H23N3OS/c1-10(2)12(9-15)8-13-11(3)16-14(19-13)17-4-6-18-7-5-17/h8,10H,4-7,9,15H2,1-3H3
InChIKeyHTWMBZTVKNQPBZ-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.29
Rot. Bonds4

About 3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine

3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine (PubChem CID 79323854) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine
PubChem CID79323854
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine
SMILESCc1nc(N2CCOCC2)sc1C=C(CN)C(C)C
InChIInChI=1S/C14H23N3OS/c1-10(2)12(9-15)8-13-11(3)16-14(19-13)17-4-6-18-7-5-17/h8,10H,4-7,9,15H2,1-3H3
InChIKeyHTWMBZTVKNQPBZ-UHFFFAOYSA-N
XLogP2.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine?
The IUPAC name of 3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine (CID 79323854) is 3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine?
The canonical SMILES for 3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine is Cc1nc(N2CCOCC2)sc1C=C(CN)C(C)C.
What is the InChIKey of 3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine?
The InChIKey is HTWMBZTVKNQPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(2)12(9-15)8-13-11(3)16-14(19-13)17-4-6-18-7-5-17/h8,10H,4-7,9,15H2,1-3H3.
What are the key properties of 3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine?
3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine has a molecular weight of 281.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79323854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).