2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide

C7H10ClN3O2S2 — CID 130752083

IUPAC2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1Cc1nc(CCl)cs1
InChIInChI=1S/C7H10ClN3O2S2/c8-3-6-5-14-7(10-6)4-11-2-1-9-15(11,12)13/h5,9H,1-4H2
InChIKeyYSKCRXHURWQFKN-UHFFFAOYSA-N
MW267.76 g/mol
LogP0.53
Rot. Bonds3

About 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide

2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 130752083) has the molecular formula C7H10ClN3O2S2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID130752083
Molecular FormulaC7H10ClN3O2S2
Molecular Weight267.76 g/mol
Exact Mass266.99
IUPAC Name2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1Cc1nc(CCl)cs1
InChIInChI=1S/C7H10ClN3O2S2/c8-3-6-5-14-7(10-6)4-11-2-1-9-15(11,12)13/h5,9H,1-4H2
InChIKeyYSKCRXHURWQFKN-UHFFFAOYSA-N
XLogP0.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 43620084
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 63606160
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]azepan-2-one
CID 43138413
4-(chloromethyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62994658
4-(chloromethyl)-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 43585535
2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43320533
2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide
CID 54989002
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-cyclopropylimidazol-2-one
CID 80581451
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol
CID 61435144
4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1,4-diazepan-2-one
CID 65366352
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylsulfonylthiomorpholine
CID 66378095
1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]azepan-2-one
CID 43138414

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide (CID 130752083) is 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)NCCN1Cc1nc(CCl)cs1.
What is the InChIKey of 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is YSKCRXHURWQFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S2/c8-3-6-5-14-7(10-6)4-11-2-1-9-15(11,12)13/h5,9H,1-4H2.
What are the key properties of 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 267.76 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 130752083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).