2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole

C10H15NOS — CID 107924795

IUPAC2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(C2CC2(C)C)n1
InChIInChI=1S/C10H15NOS/c1-10(2)4-8(10)9-11-7(5-12-3)6-13-9/h6,8H,4-5H2,1-3H3
InChIKeyFDKODKIPBYGNIK-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.80
Rot. Bonds3

About 2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole

2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole (PubChem CID 107924795) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole
PubChem CID107924795
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(C2CC2(C)C)n1
InChIInChI=1S/C10H15NOS/c1-10(2)4-8(10)9-11-7(5-12-3)6-13-9/h6,8H,4-5H2,1-3H3
InChIKeyFDKODKIPBYGNIK-UHFFFAOYSA-N
XLogP2.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol
CID 107924752
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 82670376
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 107925558
N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 107925898
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole
CID 107511915
4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole
CID 107511846
2-[cyclopropyl(methoxy)methyl]-4-(methoxymethyl)-1,3-thiazole
CID 107511836
methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925304
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]propan-2-amine
CID 107925925
ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925303
2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
CID 100742041
2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone
CID 107925301

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole (CID 107924795) is 2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole is COCc1csc(C2CC2(C)C)n1.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole?
The InChIKey is FDKODKIPBYGNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-10(2)4-8(10)9-11-7(5-12-3)6-13-9/h6,8H,4-5H2,1-3H3.
What are the key properties of 2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole?
2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole has a molecular weight of 197.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 107924795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).