5-(3-bromopropyl)-4-methyl-1,3-thiazole

C7H10BrNS — CID 71755982

IUPAC5-(3-bromopropyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCCBr
InChIInChI=1S/C7H10BrNS/c1-6-7(3-2-4-8)10-5-9-6/h5H,2-4H2,1H3
InChIKeyAPCNNTOKNOFMSS-UHFFFAOYSA-N
MW220.13 g/mol
LogP2.78
Rot. Bonds3

About 5-(3-bromopropyl)-4-methyl-1,3-thiazole

5-(3-bromopropyl)-4-methyl-1,3-thiazole (PubChem CID 71755982) has the molecular formula C7H10BrNS and a molecular weight of 220.13 g/mol. Its IUPAC name is 5-(3-bromopropyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(3-bromopropyl)-4-methyl-1,3-thiazole
PubChem CID71755982
Molecular FormulaC7H10BrNS
Molecular Weight220.13 g/mol
Exact Mass218.97
IUPAC Name5-(3-bromopropyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCCBr
InChIInChI=1S/C7H10BrNS/c1-6-7(3-2-4-8)10-5-9-6/h5H,2-4H2,1H3
InChIKeyAPCNNTOKNOFMSS-UHFFFAOYSA-N
XLogP2.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
CID 70095117
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
5-bromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 107910110
2,2-dimethyl-6-(4-methyl-1,3-thiazol-5-yl)hexan-3-one
CID 79428990
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
CID 66818170
CID 66818170
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
5-[3-benzyl-4-bromo-3-(bromomethyl)butyl]-4-methyl-1,3-thiazole
CID 79452852

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromopropyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(3-bromopropyl)-4-methyl-1,3-thiazole (CID 71755982) is 5-(3-bromopropyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(3-bromopropyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(3-bromopropyl)-4-methyl-1,3-thiazole is Cc1ncsc1CCCBr.
What is the InChIKey of 5-(3-bromopropyl)-4-methyl-1,3-thiazole?
The InChIKey is APCNNTOKNOFMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-6-7(3-2-4-8)10-5-9-6/h5H,2-4H2,1H3.
What are the key properties of 5-(3-bromopropyl)-4-methyl-1,3-thiazole?
5-(3-bromopropyl)-4-methyl-1,3-thiazole has a molecular weight of 220.13 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromopropyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 71755982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).