aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone

C7H7ClN2OS — CID 130629090

IUPACaziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(Cl)sc1C(=O)N1CC1
InChIInChI=1S/C7H7ClN2OS/c1-4-5(12-7(8)9-4)6(11)10-2-3-10/h2-3H2,1H3
InChIKeyLVKLVBDKPTVBLS-UHFFFAOYSA-N
MW202.67 g/mol
LogP1.56
Rot. Bonds1

About aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone

aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 130629090) has the molecular formula C7H7ClN2OS and a molecular weight of 202.67 g/mol. Its IUPAC name is aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Nameaziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID130629090
Molecular FormulaC7H7ClN2OS
Molecular Weight202.67 g/mol
Exact Mass202.00
IUPAC Nameaziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(Cl)sc1C(=O)N1CC1
InChIInChI=1S/C7H7ClN2OS/c1-4-5(12-7(8)9-4)6(11)10-2-3-10/h2-3H2,1H3
InChIKeyLVKLVBDKPTVBLS-UHFFFAOYSA-N
XLogP1.56
TPSA32.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.67
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 67684501
1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 62792562
1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 56812669
1-[4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 49014252
1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one
CID 171593762
cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62793634
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 62792932
cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 36515172
[4-(2-bromoethyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033487
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone (CID 130629090) is aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone is Cc1nc(Cl)sc1C(=O)N1CC1.
What is the InChIKey of aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is LVKLVBDKPTVBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2OS/c1-4-5(12-7(8)9-4)6(11)10-2-3-10/h2-3H2,1H3.
What are the key properties of aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone?
aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 202.67 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 130629090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).