2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole

C11H19NOS — CID 58017970

IUPAC2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole
SMILESCCCOCCCc1nc(C)sc1C
InChIInChI=1S/C11H19NOS/c1-4-7-13-8-5-6-11-9(2)14-10(3)12-11/h4-8H2,1-3H3
InChIKeyBFWZNGPPVUKFSG-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.12
Rot. Bonds6

About 2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole

2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole (PubChem CID 58017970) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole
PubChem CID58017970
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole
SMILESCCCOCCCc1nc(C)sc1C
InChIInChI=1S/C11H19NOS/c1-4-7-13-8-5-6-11-9(2)14-10(3)12-11/h4-8H2,1-3H3
InChIKeyBFWZNGPPVUKFSG-UHFFFAOYSA-N
XLogP3.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-Diethyl-4-propylthiazole
CID 55295881
2,5-Dimethyl-4-propylthiazole
CID 57994012
2,5-Dipropyl-4-methylthiazole
CID 27282096
2,4-Diethyl-5-propylthiazole
CID 55296072
2-Bromo-5-methyl-4-(oxan-4-yl)-1,3-thiazole
CID 115048955
4-Butyl-2-ethyl-5-methylthiazole
CID 86124640
5-(2-Methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 174360006
3-[2-Tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 102501942
5-(2-Hexoxyethyl)-4-methyl-1,3-thiazole
CID 17957312
5-(2,4-Dimethyl-1,3-thiazol-5-yl)pentan-1-ol
CID 22014270
2-Ethoxy-5-methyl-4-(2-methylpropyl)-1,3-thiazole
CID 53709733
2-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl acetate
CID 54324314

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole (CID 58017970) is 2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole is CCCOCCCc1nc(C)sc1C.
What is the InChIKey of 2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole?
The InChIKey is BFWZNGPPVUKFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-4-7-13-8-5-6-11-9(2)14-10(3)12-11/h4-8H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole?
2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole has a molecular weight of 213.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(3-propoxypropyl)-1,3-thiazole is sourced from PubChem (CID 58017970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).