(2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone

C10H14N2OS2 — CID 77091869

IUPAC(2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone
SMILESCc1nc(C(=O)N2CCSCC2)c(C)s1
InChIInChI=1S/C10H14N2OS2/c1-7-9(11-8(2)15-7)10(13)12-3-5-14-6-4-12/h3-6H2,1-2H3
InChIKeySNUYKAZCRIPKDF-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.95
Rot. Bonds1

About (2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone

(2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone (PubChem CID 77091869) has the molecular formula C10H14N2OS2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone
PubChem CID77091869
Molecular FormulaC10H14N2OS2
Molecular Weight242.37 g/mol
Exact Mass242.05
IUPAC Name(2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone
SMILESCc1nc(C(=O)N2CCSCC2)c(C)s1
InChIInChI=1S/C10H14N2OS2/c1-7-9(11-8(2)15-7)10(13)12-3-5-14-6-4-12/h3-6H2,1-2H3
InChIKeySNUYKAZCRIPKDF-UHFFFAOYSA-N
XLogP1.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
CID 51075868
(4-Ethylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 53505330
(4-Methyl-1,3-thiazol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 53506231
1-[(2-isopropyl-4-methyl-1,3-thiazol-5-yl)carbonyl]-4-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 72907293
(4-Methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 51080816
N,N-Diethyl-2,5-dimethyl-4-thiazolecarboxamide
CID 13835318
4-(4-Methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 45819783
4-(2-Butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 45819784
N,N-diethyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53515229
N-(3-Methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-YL)-1,3-thiazole-4-carboxamide
CID 74237994
2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 77078791
N-[2-(ethylsulfonyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 77092517

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone (CID 77091869) is (2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone is Cc1nc(C(=O)N2CCSCC2)c(C)s1.
What is the InChIKey of (2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is SNUYKAZCRIPKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2/c1-7-9(11-8(2)15-7)10(13)12-3-5-14-6-4-12/h3-6H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone?
(2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 242.37 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-thiazol-4-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 77091869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).