5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine

C14H16ClN3S2 — CID 120900764

IUPAC5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCSCC2c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H16ClN3S2/c15-11-3-1-10(2-4-11)13-9-19-6-5-18(13)8-12-7-17-14(16)20-12/h1-4,7,13H,5-6,8-9H2,(H2,16,17)
InChIKeyBMFUVKVTKMRCHF-UHFFFAOYSA-N
MW325.89 g/mol
LogP3.67
Rot. Bonds3

About 5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine

5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120900764) has the molecular formula C14H16ClN3S2 and a molecular weight of 325.89 g/mol. Its IUPAC name is 5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120900764
Molecular FormulaC14H16ClN3S2
Molecular Weight325.89 g/mol
Exact Mass325.05
IUPAC Name5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCSCC2c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H16ClN3S2/c15-11-3-1-10(2-4-11)13-9-19-6-5-18(13)8-12-7-17-14(16)20-12/h1-4,7,13H,5-6,8-9H2,(H2,16,17)
InChIKeyBMFUVKVTKMRCHF-UHFFFAOYSA-N
XLogP3.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.89
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine (CID 120900764) is 5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCSCC2c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is BMFUVKVTKMRCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S2/c15-11-3-1-10(2-4-11)13-9-19-6-5-18(13)8-12-7-17-14(16)20-12/h1-4,7,13H,5-6,8-9H2,(H2,16,17).
What are the key properties of 5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine?
5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 325.89 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120900764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).