4-chloro-5-(2-methylpropyl)-1,3-thiazole

C7H10ClNS — CID 140701360

IUPAC4-chloro-5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1scnc1Cl
InChIInChI=1S/C7H10ClNS/c1-5(2)3-6-7(8)9-4-10-6/h4-5H,3H2,1-2H3
InChIKeyPBOLOKZVZXMNAW-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.99
Rot. Bonds2

About 4-chloro-5-(2-methylpropyl)-1,3-thiazole

4-chloro-5-(2-methylpropyl)-1,3-thiazole (PubChem CID 140701360) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 4-chloro-5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(2-methylpropyl)-1,3-thiazole
PubChem CID140701360
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name4-chloro-5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1scnc1Cl
InChIInChI=1S/C7H10ClNS/c1-5(2)3-6-7(8)9-4-10-6/h4-5H,3H2,1-2H3
InChIKeyPBOLOKZVZXMNAW-UHFFFAOYSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-5-propan-2-yl-1,3-thiazole
CID 91217277
2,4-Dichloro-5-(2,2-dimethylpropyl)-1,3-thiazole
CID 68076533
5-Tert-butyl-4-chloro-1,3-thiazole
CID 89830099
4-Chloro-5-ethyl-1,3-thiazole
CID 90447792
4-Chloro-5-ethyl-1,3-thiazole;ethane
CID 144700185
4-Chloro-5-tridecan-7-yl-1,3-thiazole
CID 156418825
1-(4-Chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one
CID 171593759
4-Chloro-5-cyclohexyl-1,3-thiazole
CID 175691780
5-Chloro-4-(2-methylpropyl)-1,3-thiazole
CID 178435239
5-(3-Chloro-2-methylpropyl)-1,3-thiazole
CID 112645284
4-Chloro-5-(3-chloropropyl)-1,3-thiazole
CID 165443548
4-Chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-thiazole
CID 165443549

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 4-chloro-5-(2-methylpropyl)-1,3-thiazole (CID 140701360) is 4-chloro-5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1scnc1Cl.
What is the InChIKey of 4-chloro-5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is PBOLOKZVZXMNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-5(2)3-6-7(8)9-4-10-6/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-5-(2-methylpropyl)-1,3-thiazole?
4-chloro-5-(2-methylpropyl)-1,3-thiazole has a molecular weight of 175.68 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 140701360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).