[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone

C16H23N3O2S2 — CID 146077909

IUPAC[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2csc(C3CC3)n2)CCO1)N1CCSCC1
InChIInChI=1S/C16H23N3O2S2/c20-16(19-4-7-22-8-5-19)14-10-18(3-6-21-14)9-13-11-23-15(17-13)12-1-2-12/h11-12,14H,1-10H2
InChIKeyRSRXFOOHJOSLKZ-UHFFFAOYSA-N
MW353.51 g/mol
LogP1.80
Rot. Bonds4

About [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone

[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 146077909) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID146077909
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC Name[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2csc(C3CC3)n2)CCO1)N1CCSCC1
InChIInChI=1S/C16H23N3O2S2/c20-16(19-4-7-22-8-5-19)14-10-18(3-6-21-14)9-13-11-23-15(17-13)12-1-2-12/h11-12,14H,1-10H2
InChIKeyRSRXFOOHJOSLKZ-UHFFFAOYSA-N
XLogP1.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163349291
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981120
[4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078304
[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078396
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078179
thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone
CID 146078359
[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078593
1-[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 56781129
1-[(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95611811
N-[[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 86771475
1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126947993
(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95305458

Frequently Asked Questions

What is the IUPAC name of [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone (CID 146077909) is [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone is O=C(C1CN(Cc2csc(C3CC3)n2)CCO1)N1CCSCC1.
What is the InChIKey of [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is RSRXFOOHJOSLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c20-16(19-4-7-22-8-5-19)14-10-18(3-6-21-14)9-13-11-23-15(17-13)12-1-2-12/h11-12,14H,1-10H2.
What are the key properties of [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 353.51 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 146077909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).